Geometry & MOs

Info

ID:	17914
PubChem CID:	527376
Reduced:	NC33H65 (1)
Stoich.:	AB33C65 (1)
Weight, g/mol:	475.511701
ΔH_f, kcal/mol:	-124.86
Dipole, Da:	4.03
IP(EA), eV:	-10.55(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

21,25-dimethylhentriacontanenitrile

Drug info:

PubChemData

Smile

CCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCCCC#N

DOS

IR

Vibrations