Geometry & MOs

Info

ID:	216671
PubChem CID:	85086589
Reduced:	O3C18H26 (1)
Stoich.:	A3B18C26 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	-117.58
Dipole, Da:	1.28
IP(EA), eV:	-9.54(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(hydroxymethyl)-13-methyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CCOC1C(C=CC(O1)COCC2=CC=CC=C2)C(C)C

DOS

IR

Vibrations