Geometry & MOs

Info

ID:	343604
PubChem CID:	127266780
Reduced:	ClO2N4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	304.98182
ΔH_f, kcal/mol:	-56.71
Dipole, Da:	3.95
IP(EA), eV:	-9.12(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-chloro-N-(4-hydroxybutan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(=C)CC(C(=O)NCC1=NC2=C(N1)C=C(C=C2)Cl)NC(=O)C

DOS

IR

Vibrations