Geometry & MOs

Info

ID:	320306
PubChem CID:	126659435
Reduced:	INO4C20H30 (1)
Stoich.:	ABC4D20E30 (1)
Weight, g/mol:	321.043567
ΔH_f, kcal/mol:	-184.63
Dipole, Da:	3.89
IP(EA), eV:	-9.5(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[(E)-1-[(2-methylidenepyrrol-3-yl)amino]prop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CCCC(CN(CCO)C(=O)OC(C)(C)C)C(=O)C1=CC=C(C=C1)CI

DOS

IR

Vibrations