Geometry & MOs

Info

ID:	312161
PubChem CID:	126603393
Reduced:	O3N7C24H33 (1)
Stoich.:	A3B7C24D33 (1)
Weight, g/mol:	196.012021
ΔH_f, kcal/mol:	-84.61
Dipole, Da:	2.89
IP(EA), eV:	-8.3(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-formyl-5-nitropyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)OC3=CN(C(=O)N=C3N2)C4CCC(CC4)NC(=O)CCN=C(N)N

DOS

IR

Vibrations