Geometry & MOs

Info

ID:	6659
PubChem CID:	69424
Reduced:	NC16H31 (1)
Stoich.:	AB16C31 (1)
Weight, g/mol:	237.24565
ΔH_f, kcal/mol:	-46.15
Dipole, Da:	3.74
IP(EA), eV:	-10.62(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadecanenitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC#N

DOS

IR

Vibrations