Geometry & MOs

Info

ID:	391408
PubChem CID:	135004831
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	461.195071
ΔH_f, kcal/mol:	-94.31
Dipole, Da:	5.37
IP(EA), eV:	-9.5(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 6-amino-5-cyano-4-(4-methoxyphenyl)-1-(2-methylphenyl)-4H-pyridine-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CCC(=O)OCN(/C=C/C(=O)C1=CC=CC=C1)C(=O)C2=NC=CN2C

DOS

IR

Vibrations