Geometry & MOs

Info

ID:	27941
PubChem CID:	824215
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	267.053158
ΔH_f, kcal/mol:	-17.93
Dipole, Da:	3.03
IP(EA), eV:	-9.32(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-benzylidene-4-nitro-2-benzofuran-1-one

Drug info:

PubChemData

Smile

C1COCCN1C(=O)[C@H]2CC2(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations