Geometry & MOs

Info

ID:	2490
PubChem CID:	7724
Reduced:	NH7C8 (1)
Stoich.:	AB7C8 (1)
Weight, g/mol:	117.057849
ΔH_f, kcal/mol:	44.69
Dipole, Da:	5.01
IP(EA), eV:	-9.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations