Geometry & MOs

Info

ID:	384452
PubChem CID:	134977015
Reduced:	NO3C22H38 (1)
Stoich.:	AB3C22D38 (1)
Weight, g/mol:	358.095357
ΔH_f, kcal/mol:	-75.85
Dipole, Da:	4.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.765535
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-4-[2-(4-nitrophenyl)-3-phenylcyclopropen-1-yl]benzene

Drug info:

PubChemData

Smile

CCCCCCC1=C(C1(C2CCC(N2[O])(C)C)C(=O)OCC)CCCC

DOS

IR

Vibrations