Geometry & MOs

Info

ID:	289481
PubChem CID:	104357484
Reduced:	BrNOCl3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	338.96617
ΔH_f, kcal/mol:	-18.58
Dipole, Da:	2.39
IP(EA), eV:	-9.68(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-chloro-N-[2-(hydroxymethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations