Geometry & MOs

Info

ID:	1491
PubChem CID:	4589
Reduced:	NPO5C25H52 (1)
Stoich.:	ABC5D25E52 (1)
Weight, g/mol:	477.358311
ΔH_f, kcal/mol:	-333.19
Dipole, Da:	13.89
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCOCCOP(=O)([O-])OCC[N+](C)(C)C

DOS

IR

Vibrations