Geometry & MOs

Info

ID:	2896
PubChem CID:	8794
Reduced:	NH7C8 (1)
Stoich.:	AB7C8 (1)
Weight, g/mol:	117.057849
ΔH_f, kcal/mol:	48.8
Dipole, Da:	3.73
IP(EA), eV:	-9.85(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylacetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations