Geometry & MOs

Info

ID:	22195
PubChem CID:	596231
Reduced:	NO4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	195.053158
ΔH_f, kcal/mol:	-127.92
Dipole, Da:	2.42
IP(EA), eV:	-10.76(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl pyridine-3,4-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=NC=C1)C(=O)OC

DOS

IR

Vibrations