Geometry & MOs

Info

ID:	73130
PubChem CID:	48417051
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	327.059009
ΔH_f, kcal/mol:	3.04
Dipole, Da:	4.38
IP(EA), eV:	-9.39(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations