Geometry & MOs

Info

ID:	73224
PubChem CID:	48417230
Reduced:	OH7N7C11 (1)
Stoich.:	AB7C7D11 (1)
Weight, g/mol:	337.099731
ΔH_f, kcal/mol:	121.73
Dipole, Da:	8.81
IP(EA), eV:	-9.16(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C(=O)N3C(=C(C=N3)C#N)N)N=C1

DOS

IR

Vibrations