Geometry & MOs

Info

ID:	384701
PubChem CID:	134977500
Reduced:	Cl2N2P3C11O14H17 (1)
Stoich.:	A2B2C3D11E14F17 (1)
Weight, g/mol:	339.21746
ΔH_f, kcal/mol:	-758.9
Dipole, Da:	4.74
IP(EA), eV:	-9.8(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octoxyethyl 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O

DOS

IR

Vibrations