Geometry & MOs

Info

ID:	404536
PubChem CID:	135066694
Reduced:	NO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	274.095357
ΔH_f, kcal/mol:	-102.79
Dipole, Da:	5.05
IP(EA), eV:	-9.22(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 6-(1-methylpyrrol-3-yl)pyridine-3,4-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N=C(C2=C1CCC2)/C=C/C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations