Geometry & MOs

Info

ID:	2035
PubChem CID:	5631
Reduced:	N2O3C29H40 (1)
Stoich.:	A2B3C29D40 (1)
Weight, g/mol:	464.303893
ΔH_f, kcal/mol:	-117.4
Dipole, Da:	1.99
IP(EA), eV:	-8.43(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)amino]hexyl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC

DOS

IR

Vibrations