Geometry & MOs

Info

ID:	73365
PubChem CID:	48417528
Reduced:	ON6H12C14 (1)
Stoich.:	AB6C12D14 (1)
Weight, g/mol:	276.042945
ΔH_f, kcal/mol:	86.98
Dipole, Da:	3.19
IP(EA), eV:	-9.25(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-amino-4-cyanopyrazole-1-carbonyl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1C(=C(C=N1)C#N)N)N2C=NC3=CC=CC=C32

DOS

IR

Vibrations