Geometry & MOs

Info

ID:	83077
PubChem CID:	49857119
Reduced:	OC8H12 (3)
Stoich.:	AB8C12 (3)
Weight, g/mol:	486.352922
ΔH_f, kcal/mol:	-170.72
Dipole, Da:	4.38
IP(EA), eV:	-10.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3aR,4S,7aR)-1-[(2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl] benzoate

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[C@@H](CCC[C@@H](C)O)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2OC(=O)C3=CC=CC=C3)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

C[C@@H](CCC[C@@H](C)O)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2OC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):