Geometry & MOs

Info

ID:	58506
PubChem CID:	24702086
Reduced:	BrNOF3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	274.087291
ΔH_f, kcal/mol:	-180.66
Dipole, Da:	4.27
IP(EA), eV:	-10.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(4-chloro-2-methylphenyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(F)(F)F)Br

DOS

IR

Vibrations