Geometry & MOs

Info

ID:	276694
PubChem CID:	103824727
Reduced:	BrClON3H9C14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	334.97125
ΔH_f, kcal/mol:	44.32
Dipole, Da:	6.2
IP(EA), eV:	-8.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(=O)NC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations