Geometry & MOs

Info

ID:	276704
PubChem CID:	103824760
Reduced:	BrN2O3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-101.99
Dipole, Da:	3.71
IP(EA), eV:	-10.2(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-hydroxyethoxy)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN=C(C=C1C(=O)NCCOCCO)Br

DOS

IR

Vibrations