Geometry & MOs

Info

ID:	395226
PubChem CID:	135024959
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	559.413778
ΔH_f, kcal/mol:	-32.44
Dipole, Da:	2.06
IP(EA), eV:	-9.17(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-N-[2-[(1S,4aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetyl]-N-pyrimidin-2-ylacetamide

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

[C-]#[N+]CCCC(C#N)NC(=O)C1(CCCCC1)N2CCOCC2

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

[C-]#[N+]CCCC(C#N)NC(=O)C1(CCCCC1)N2CCOCC2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):