Geometry & MOs

Info

ID:	5063
PubChem CID:	12532
Reduced:	NC18H35 (1)
Stoich.:	AB18C35 (1)
Weight, g/mol:	265.27695
ΔH_f, kcal/mol:	-56.09
Dipole, Da:	3.95
IP(EA), eV:	-10.73(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadecanenitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC#N

DOS

IR

Vibrations