Geometry & MOs

Info

ID:	155757
PubChem CID:	56367365
Reduced:	BrN3O4H12C15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	400.00342
ΔH_f, kcal/mol:	-30.43
Dipole, Da:	9.86
IP(EA), eV:	-8.95(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations