Geometry & MOs

Info

ID:	405589
PubChem CID:	135074599
Reduced:	BrNO4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	289.071524
ΔH_f, kcal/mol:	-125.16
Dipole, Da:	2.1
IP(EA), eV:	-9.6(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl [nitro(phenyl)methyl] phosphate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCCOC(=O)CCCC#CBr

DOS

IR

Vibrations