Geometry & MOs

Info

ID:	217342
PubChem CID:	85087656
Reduced:	O2H22C25 (1)
Stoich.:	A2B22C25 (1)
Weight, g/mol:	354.219495
ΔH_f, kcal/mol:	-9.76
Dipole, Da:	0.33
IP(EA), eV:	-8.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-10,13-dimethyl-11,12,14,15,16,17-hexahydro-9H-cyclopenta[a]phenanthren-17-yl)ethyl acetate

Drug info:

PubChemData

Smile

CC1(OC(C(O1)C2=CC=CC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54)C

DOS

IR

Vibrations