Geometry & MOs

Info

ID:	3459
PubChem CID:	9685
Reduced:	O3C18H22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-134.42
Dipole, Da:	5.55
IP(EA), eV:	-8.53(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)O)O

DOS

IR

Vibrations