Geometry & MOs

Info

ID:	273333
PubChem CID:	103770922
Reduced:	BrNSO2C11H16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	313.06774
ΔH_f, kcal/mol:	-80.35
Dipole, Da:	3.12
IP(EA), eV:	-9.57(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-hydroxy-4-methylpentyl)-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(C=CS1)Br)O

DOS

IR

Vibrations