Geometry & MOs

Info

ID:	276843
PubChem CID:	103825443
Reduced:	BrN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-72.85
Dipole, Da:	3.68
IP(EA), eV:	-10.25(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxybutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CCO)NC(=O)C1=CC(=NC=C1)Br

DOS

IR

Vibrations