Geometry & MOs

Info

ID:	9169
PubChem CID:	86935
Reduced:	ON2C39H76 (1)
Stoich.:	AB2C39D76 (1)
Weight, g/mol:	588.595765
ΔH_f, kcal/mol:	-168.99
Dipole, Da:	4.98
IP(EA), eV:	-9.15(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(octadec-9-enylamino)propyl]octadec-9-enamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCNCCCNC(=O)CCCCCCCC=CCCCCCCCC

DOS

IR

Vibrations