Geometry & MOs

Info

ID:	224844
PubChem CID:	85460328
Reduced:	ClN2O3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	388.117155
ΔH_f, kcal/mol:	-80.92
Dipole, Da:	4.11
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-nitrophenyl)prop-2-enoylamino]-N-pyridin-3-ylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=CC(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl)OC

DOS

IR

Vibrations