Geometry & MOs

Info

ID:	4965
PubChem CID:	12352
Reduced:	NC6H11 (1)
Stoich.:	AB6C11 (1)
Weight, g/mol:	97.089149
ΔH_f, kcal/mol:	0.85
Dipole, Da:	4.02
IP(EA), eV:	-11.55(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexanenitrile

Drug info:

PubChemData

Smile

CCCCCC#N

DOS

IR

Vibrations