Geometry & MOs

Info

ID:	22268
PubChem CID:	596459
Reduced:	NO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	179.058243
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	1.67
IP(EA), eV:	-10.61(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CN=C1)C(=O)OC

DOS

IR

Vibrations