Geometry & MOs

Info

ID:	9218
PubChem CID:	87212
Reduced:	ClNPO6C8H9 (1)
Stoich.:	ABCD6E8F9 (1)
Weight, g/mol:	280.985602
ΔH_f, kcal/mol:	-219.7
Dipole, Da:	7.16
IP(EA), eV:	-9.97(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-nitrophenyl) dimethyl phosphate

Drug info:

PubChemData

Smile

COP(=O)(OC)OC1=C(C=C(C=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations