Geometry & MOs

Info

ID:	277680
PubChem CID:	103830336
Reduced:	BrNO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	352.98182
ΔH_f, kcal/mol:	-48.24
Dipole, Da:	4.04
IP(EA), eV:	-8.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2-chlorophenyl)methyl]-3-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)Br)O)C

DOS

IR

Vibrations