Geometry & MOs

Info

ID:	273577
PubChem CID:	103771408
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	300.04734
ΔH_f, kcal/mol:	-154.5
Dipole, Da:	3.27
IP(EA), eV:	-9.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC2=C(C=C1)OCO2)O

DOS

IR

Vibrations