Geometry & MOs

Info

ID:	26279
PubChem CID:	643516
Reduced:	NO4C11H19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	182.032757
ΔH_f, kcal/mol:	-212.1
Dipole, Da:	7.16
IP(EA), eV:	-10.09(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-nitropyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)O

DOS

IR

Vibrations