Geometry & MOs

Info

ID:	4084
PubChem CID:	10721
Reduced:	NH7C8 (1)
Stoich.:	AB7C8 (1)
Weight, g/mol:	117.057849
ΔH_f, kcal/mol:	45.02
Dipole, Da:	3.87
IP(EA), eV:	-9.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylbenzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C#N

DOS

IR

Vibrations