Geometry & MOs

Info

ID:	275917
PubChem CID:	103819083
Reduced:	BrClNO3C11H13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	315.04701
ΔH_f, kcal/mol:	-118.28
Dipole, Da:	4.26
IP(EA), eV:	-9.61(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide

Drug info:

PubChemData

Smile

COCC(CNC(=O)C1=C(C=CC(=C1)Cl)Br)O

DOS

IR

Vibrations