Geometry & MOs

Info

ID:	402317
PubChem CID:	135055479
Reduced:	N3O6C17H21 (1)
Stoich.:	A3B6C17D21 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-146.35
Dipole, Da:	4.21
IP(EA), eV:	-10.17(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11bR)-11b-propyl-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indol-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C1CCCCC1=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations