Geometry & MOs

Info

ID:	1890
PubChem CID:	5282
Reduced:	NO4C25H50 (1)
Stoich.:	AB4C25D50 (1)
Weight, g/mol:	428.373984
ΔH_f, kcal/mol:	-242.35
Dipole, Da:	6.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752528
Charge, e:	1

Chem-info

IUPAC name:

(3-carboxy-2-octadecanoyloxypropyl)-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C

DOS

IR

Vibrations