Geometry & MOs

Info

ID:	73185
PubChem CID:	48417166
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	319.993488
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	5.4
IP(EA), eV:	-9.27(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations