Geometry & MOs

Info

ID:	73310
PubChem CID:	48417407
Reduced:	ClO2N4H11C13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	286.03246
ΔH_f, kcal/mol:	10.41
Dipole, Da:	1.73
IP(EA), eV:	-9.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1C(=C(C=N1)C#N)N)OC2=CC(=CC=C2)Cl

DOS

IR

Vibrations