Geometry & MOs

Info

ID:	371677
PubChem CID:	131270317
Reduced:	NOH4C5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	196.040341
ΔH_f, kcal/mol:	23.14
Dipole, Da:	8.91
IP(EA), eV:	-9.2(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-5-chloro-2-methoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

CC1=C2C=CC(=O)C(=C2ON1)CC#N

DOS

IR

Vibrations