Geometry & MOs

Info

ID:	4898
PubChem CID:	12244
Reduced:	NC5H9 (1)
Stoich.:	AB5C9 (1)
Weight, g/mol:	83.073499
ΔH_f, kcal/mol:	4.36
Dipole, Da:	4.01
IP(EA), eV:	-11.84(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutanenitrile

Drug info:

PubChemData

Smile

CC(C)CC#N

DOS

IR

Vibrations