Geometry & MOs

Info

ID:	4957
PubChem CID:	12336
Reduced:	ClNC4H6 (1)
Stoich.:	ABC4D6 (1)
Weight, g/mol:	103.018877
ΔH_f, kcal/mol:	4.19
Dipole, Da:	3.25
IP(EA), eV:	-10.92(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chlorobutanenitrile

Drug info:

PubChemData

Smile

C(CC#N)CCl

DOS

IR

Vibrations