Geometry & MOs

Info

ID:	11122
PubChem CID:	111264
Reduced:	NC8H17 (3)
Stoich.:	AB8C17 (3)
Weight, g/mol:	381.408299
ΔH_f, kcal/mol:	-71.47
Dipole, Da:	2.04
IP(EA), eV:	-8.73(1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-aminopropyl)-N'-octadec-9-enylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCN(CCCN)CCCN

DOS

IR

Vibrations