Geometry & MOs

Info

ID:	267345
PubChem CID:	103581930
Reduced:	ClNOH12C16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	284.071641
ΔH_f, kcal/mol:	43.01
Dipole, Da:	4.89
IP(EA), eV:	-8.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(3-cyanophenyl)methyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2=CC=CC(=C2)C#C)Cl

DOS

IR

Vibrations