Geometry & MOs

Info

ID:	21521
PubChem CID:	588839
Reduced:	O2N4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	440.221226
ΔH_f, kcal/mol:	-30.88
Dipole, Da:	3.39
IP(EA), eV:	-8.45(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-3-(3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indol-11b-yl)propanamide

Drug info:

PubChemData

Smile

C1CC2(C3=C(CCN2C1=O)C4=CC=CC=C4N3)CCC(=O)NCCC5=CNC6=CC=CC=C65

DOS

IR

Vibrations