Geometry & MOs

Info

ID:	131977
PubChem CID:	51285881
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	8.3
Dipole, Da:	3.96
IP(EA), eV:	-9.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CCCN(CCC1)C(=O)C2=C(NN=C2)C3=CC=CC=C3

DOS

IR

Vibrations