Geometry & MOs

Info

ID:	277702
PubChem CID:	103830467
Reduced:	BrINO2H9C13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	358.97688
ΔH_f, kcal/mol:	-14.59
Dipole, Da:	3.03
IP(EA), eV:	-9.06(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Br)O)I

DOS

IR

Vibrations