Geometry & MOs

Info

ID:	245
PubChem CID:	2397
Reduced:	O2N4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	438.205576
ΔH_f, kcal/mol:	13.45
Dipole, Da:	9.36
IP(EA), eV:	-8.35(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-4-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CN1CCCC1CCN2C=C(C3=CC=CC=C32)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

DOS

IR

Vibrations