Geometry & MOs

Info

ID:	18848
PubChem CID:	549048
Reduced:	O2C19H30 (1)
Stoich.:	A2B19C30 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	-135.65
Dipole, Da:	1.76
IP(EA), eV:	-9.56(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one

Drug info:

PubChemData

Smile

CC12CCCC1C3CCC4CCCCC4(C3C(=O)C2)CO

DOS

IR

Vibrations