Geometry & MOs

Info

ID:	2190
PubChem CID:	6190
Reduced:	N2C29H56 (1)
Stoich.:	A2B29C56 (1)
Weight, g/mol:	432.44435
ΔH_f, kcal/mol:	63.12
Dipole, Da:	0.84
IP(EA), eV:	-1.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[(3R,8R,10S,13S,17R)-3-[diethyl(methyl)azaniumyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-diethyl-methylazanium

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[N+](C)(CC)[C@@H]1CC[C@]2(C(C1)CC[C@@H]3C2CC[C@]4(C3CC[C@H]4[N+](C)(CC)CC)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[N+](C)(CC)[C@@H]1CC[C@]2(C(C1)CC[C@@H]3C2CC[C@]4(C3CC[C@H]4[N+](C)(CC)CC)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):