Geometry & MOs

Info

ID:	257238
PubChem CID:	103144591
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	336.02735
ΔH_f, kcal/mol:	-27.58
Dipole, Da:	4.65
IP(EA), eV:	-7.83(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2C)N)C)C

DOS

IR

Vibrations