Geometry & MOs

Info

ID:	8315
PubChem CID:	76279
Reduced:	NC9H9 (1)
Stoich.:	AB9C9 (1)
Weight, g/mol:	131.073499
ΔH_f, kcal/mol:	38.53
Dipole, Da:	4.02
IP(EA), eV:	-9.56(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC#N

DOS

IR

Vibrations