Geometry & MOs

Info

ID:	384563
PubChem CID:	134977223
Reduced:	N2P3C11O14H19 (1)
Stoich.:	A2B3C11D14E19 (1)
Weight, g/mol:	339.21746
ΔH_f, kcal/mol:	-792.66
Dipole, Da:	3.48
IP(EA), eV:	-9.55(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hexoxybutyl 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)(CP(=O)(O)O)O)O)O

DOS

IR

Vibrations