Geometry & MOs

Info

ID:	277683
PubChem CID:	103830354
Reduced:	BrClNO3H11C14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	257.00514
ΔH_f, kcal/mol:	-77.15
Dipole, Da:	5.26
IP(EA), eV:	-8.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-hydroxy-N-propylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)Br)O)Cl

DOS

IR

Vibrations