Geometry & MOs

Info

ID:	271292
PubChem CID:	103654150
Reduced:	IO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	351.98588
ΔH_f, kcal/mol:	-6.94
Dipole, Da:	4.11
IP(EA), eV:	-9.35(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-3-fluoro-5-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CN(N=C1)CCNC(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations