Geometry & MOs

Info

ID:	257246
PubChem CID:	103144625
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	336.02735
ΔH_f, kcal/mol:	-50.34
Dipole, Da:	3.27
IP(EA), eV:	-7.97(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)-2-bromo-5-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2OC)C)N

DOS

IR

Vibrations