Geometry & MOs

Info

ID:	338623
PubChem CID:	127259634
Reduced:	OF2N7H9C15 (1)
Stoich.:	AB2C7D9E15 (1)
Weight, g/mol:	314.118591
ΔH_f, kcal/mol:	46.83
Dipole, Da:	8.4
IP(EA), eV:	-8.67(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-3-chlorobut-2-enyl]amino]-N-(2-methylphenyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=O)NC\2=CNN/C2=C\3/N=C4C=NC=NC4=N3)F

DOS

IR

Vibrations