Geometry & MOs

Info

ID:	6224
PubChem CID:	67554
Reduced:	NPCl2O6C10H12 (1)
Stoich.:	ABC2D6E10F12 (1)
Weight, g/mol:	342.97793
ΔH_f, kcal/mol:	-242.48
Dipole, Da:	4.48
IP(EA), eV:	-10.44(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-chloroethyl) (4-nitrophenyl) phosphate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(OCCCl)OCCCl

DOS

IR

Vibrations