Geometry & MOs

Info

ID:	971
PubChem CID:	3600
Reduced:	NPO4C21H47 (1)
Stoich.:	ABC4D21E47 (1)
Weight, g/mol:	408.324271
ΔH_f, kcal/mol:	-235.55
Dipole, Da:	3.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.760397
Charge, e:	1

Chem-info

IUPAC name:

2-[hexadecoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations