Geometry & MOs

Info

ID:	10918
PubChem CID:	108974
Reduced:	ON2C24H49 (1)
Stoich.:	AB2C24D49 (1)
Weight, g/mol:	381.384489
ΔH_f, kcal/mol:	-89.56
Dipole, Da:	4.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750727
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[3-(octadec-9-enoylamino)propyl]azanium

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](C)(C)C

DOS

IR

Vibrations