Geometry & MOs

Info

ID:	342390
PubChem CID:	127265213
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	310.976755
ΔH_f, kcal/mol:	-68.47
Dipole, Da:	6.56
IP(EA), eV:	-9.69(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5-chloro-1,3-thiazol-2-yl)ethenyl]-5-nitropyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(=C)C)C(=O)NC1=CC(=NC=C1)CO

DOS

IR

Vibrations