Geometry & MOs

Info

ID:	6083
PubChem CID:	14431
Reduced:	O3C23H32 (1)
Stoich.:	A3B23C32 (1)
Weight, g/mol:	356.235145
ΔH_f, kcal/mol:	-158.96
Dipole, Da:	1.53
IP(EA), eV:	-8.54(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16R,17R)-3-cyclopentyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol

Drug info:

PubChemData

Smile

CC12CCC3C(C1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OC5CCCC5

DOS

IR

Vibrations