Geometry & MOs

Info

ID:	73069
PubChem CID:	48416930
Reduced:	OSN7C11H13 (1)
Stoich.:	ABC7D11E13 (1)
Weight, g/mol:	315.024852
ΔH_f, kcal/mol:	71.7
Dipole, Da:	4.96
IP(EA), eV:	-8.82(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=NNC(=S)N1CC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations