Geometry & MOs

Info

ID:	182292
PubChem CID:	76871712
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	622.44478
ΔH_f, kcal/mol:	-149.31
Dipole, Da:	5.12
IP(EA), eV:	-7.93(0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(2S)-3-hexadecanoyloxy-2-octanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1CCNC(=O)C3CCCN3C(=O)OC(C)(C)C

DOS

IR

Vibrations