Geometry & MOs

Info

ID:	1544
PubChem CID:	4669
Reduced:	NO4C22H44 (1)
Stoich.:	AB4C22D44 (1)
Weight, g/mol:	386.327034
ΔH_f, kcal/mol:	-175.18
Dipole, Da:	4.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.762497
Charge, e:	1

Chem-info

IUPAC name:

(3-carboxy-2-pentadecanoyloxypropyl)-trimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations