Geometry & MOs

Info

ID:	295223
PubChem CID:	117522093
Reduced:	NO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-121.06
Dipole, Da:	8.89
IP(EA), eV:	-9.29(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-1-methyl-4-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)CCC2=CNC=C(C2=O)C(=O)O

DOS

IR

Vibrations