Geometry & MOs

Info

ID:	5404
PubChem CID:	13112
Reduced:	PN2O8H11C13 (1)
Stoich.:	AB2C8D11E13 (1)
Weight, g/mol:	354.025302
ΔH_f, kcal/mol:	-190.13
Dipole, Da:	7.28
IP(EA), eV:	-10.52(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl bis(4-nitrophenyl) phosphate

Drug info:

PubChemData

Smile

COP(=O)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations