Geometry & MOs

Info

ID:	25625
PubChem CID:	627589
Reduced:	O2C16H19 (2)
Stoich.:	A2B16C19 (2)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	-150.99
Dipole, Da:	5.07
IP(EA), eV:	-8.37(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C(=C3C(=C2OC)CCC(O3)(C)C)CCC(C4=CC=CC=C4)(C5=CC=CC=C5)O)C

DOS

IR

Vibrations