Geometry & MOs

Info

ID:	128781
PubChem CID:	51057659
Reduced:	BrClNO3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	333.03644
ΔH_f, kcal/mol:	-118.16
Dipole, Da:	4.08
IP(EA), eV:	-9.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-hydroxy-N-(4-propan-2-ylphenyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations