Geometry & MOs

Info

ID:	212582
PubChem CID:	81061088
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-34.61
Dipole, Da:	2.53
IP(EA), eV:	-9.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-carbamoyl-2,6-dimethylpyridin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CC(C2)CC(=O)O

DOS

IR

Vibrations