Geometry & MOs

Info

ID:	405590
PubChem CID:	135074600
Reduced:	NPO6C11H16 (1)
Stoich.:	ABC6D11E16 (1)
Weight, g/mol:	321.99696
ΔH_f, kcal/mol:	-230.13
Dipole, Da:	5.8
IP(EA), eV:	-10.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[bromo(phenyl)methyl] diethyl phosphate

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OC(C1=CC=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations