Geometry & MOs

Info

ID:	183293
PubChem CID:	77003161
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	308.002241
ΔH_f, kcal/mol:	64.4
Dipole, Da:	3.11
IP(EA), eV:	-8.34(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-chlorothiophen-2-yl)prop-2-enoylamino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NCC2C(NNN2)C3=CC=CC=C3

DOS

IR

Vibrations