Geometry & MOs

Info

ID:	269764
PubChem CID:	103618971
Reduced:	BrNO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	396.97304
ΔH_f, kcal/mol:	-21.27
Dipole, Da:	2.67
IP(EA), eV:	-9.31(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloro-2-iodobenzamide

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C21)CNC(=O)C3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations