Geometry & MOs

Info

ID:	247
PubChem CID:	2403
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	18.54
Dipole, Da:	6.42
IP(EA), eV:	-8.1(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-aminopropyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN

DOS

IR

Vibrations