Geometry & MOs

Info

ID:	18872
PubChem CID:	549968
Reduced:	OC28H44 (1)
Stoich.:	AB28C44 (1)
Weight, g/mol:	396.339216
ΔH_f, kcal/mol:	-88.85
Dipole, Da:	3.62
IP(EA), eV:	-9.19(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CCC4=CC(CCC34C)O)C

DOS

IR

Vibrations