Geometry & MOs

Info

ID:	384318
PubChem CID:	134976767
Reduced:	NPO5C13H31 (1)
Stoich.:	ABC5D13E31 (1)
Weight, g/mol:	325.20181
ΔH_f, kcal/mol:	-287.43
Dipole, Da:	5.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752454
Charge, e:	0

Chem-info

IUPAC name:

3-hexoxypropyl 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations