Geometry & MOs

Info

ID:	188170
PubChem CID:	77677439
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	344.235145
ΔH_f, kcal/mol:	62.49
Dipole, Da:	4.88
IP(EA), eV:	-8.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-10,13-dimethyl-17-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)N3C=CC=N3.C1CNNC1

DOS

IR

Vibrations