Geometry & MOs

Info

ID:	166670
PubChem CID:	74723209
Reduced:	O3N4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	359.103182
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	2.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.392020
Charge, e:	-1

Chem-info

IUPAC name:

4-[3-[(1-methylindol-3-yl)methylidene]-2,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1CNC(NC1=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations