Geometry & MOs

Info

ID:	252361
PubChem CID:	103110775
Reduced:	BrN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-123.37
Dipole, Da:	6.06
IP(EA), eV:	-9.42(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1=C(C=C(C=C1)Br)O

DOS

IR

Vibrations