Geometry & MOs

Info

ID:	234512
PubChem CID:	92298584
Reduced:	ON2Cl3H9C16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	271.095691
ΔH_f, kcal/mol:	31.22
Dipole, Da:	5.4
IP(EA), eV:	-9.65(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C(/C#N)\C(=O)NC2=C(C=CC=C2Cl)Cl)Cl

DOS

IR

Vibrations