Geometry & MOs

Info

ID:	183296
PubChem CID:	77003778
Reduced:	ClN2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	288.056863
ΔH_f, kcal/mol:	-62.95
Dipole, Da:	1.83
IP(EA), eV:	-9.64(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-methylthiophen-2-yl)prop-2-enoylamino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C=CC(=O)NC2=C(C=CC=N2)C(=O)O

DOS

IR

Vibrations