Geometry & MOs

Info

ID:	387044
PubChem CID:	134983780
Reduced:	N3O8C15H19 (1)
Stoich.:	A3B8C15D19 (1)
Weight, g/mol:	278.075015
ΔH_f, kcal/mol:	-266.96
Dipole, Da:	2.32
IP(EA), eV:	-9.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-nitro-3-(nitromethyl)butanedioate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H](/C(=N/O)/[C@@H](O1)N2C=CC=N2)OC(=O)C)OC(=O)C

DOS

IR

Vibrations