Geometry & MOs

Info

ID:	376903
PubChem CID:	134222935
Reduced:	O5H8C9 (1)
Stoich.:	A5B8C9 (1)
Weight, g/mol:	210.079313
ΔH_f, kcal/mol:	-194.78
Dipole, Da:	1.32
IP(EA), eV:	-9.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethynyl-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=O)O)OC=O)O

DOS

IR

Vibrations