Geometry & MOs

Info

ID:	199388
PubChem CID:	79240476
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	288.056863
ΔH_f, kcal/mol:	-34.86
Dipole, Da:	3.96
IP(EA), eV:	-9.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(2-methylpyridin-4-yl)carbamoyl]thiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1C(=O)NCC(=O)N1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations