Geometry & MOs

Info

ID:	371678
PubChem CID:	131270395
Reduced:	ClON2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	196.040341
ΔH_f, kcal/mol:	-4.68
Dipole, Da:	5.7
IP(EA), eV:	-8.64(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-2-chloro-3-methoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1CC#N)Cl)N

DOS

IR

Vibrations