Geometry & MOs

Info

ID:	375034
PubChem CID:	131465279
Reduced:	NC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	166.029776
ΔH_f, kcal/mol:	31.37
Dipole, Da:	4.34
IP(EA), eV:	-8.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(methylamino)benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=C1)NC)C#N

DOS

IR

Vibrations