Geometry & MOs

Info

ID:	6739
PubChem CID:	69776
Reduced:	NO2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	272.079707
ΔH_f, kcal/mol:	24.19
Dipole, Da:	0.09
IP(EA), eV:	-10.57(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-4-[2-(4-nitrophenyl)ethyl]benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations