Geometry & MOs

Info

ID:	125225
PubChem CID:	50915706
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	331.080435
ΔH_f, kcal/mol:	-105.03
Dipole, Da:	4.9
IP(EA), eV:	-8.42(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-(4-nitroanilino)pyridine-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(=CCN1C2=CC=CC=C2C3=CC(=NC(=C31)C(OC)OC)C(=O)OC)C

DOS

IR

Vibrations