Geometry & MOs

Info

ID:	387205
PubChem CID:	134984412
Reduced:	N2O3H22C24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	339.144689
ΔH_f, kcal/mol:	37.56
Dipole, Da:	2.9
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-diethoxyphosphoryl-4-methyl-3-(nitromethyl)pentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C/C(=C/C(=O)C2=CC=CC=C2)/NC3=CC=CC=C3)C[N+](=O)[O-]

DOS

IR

Vibrations