Geometry & MOs

Info

ID:	73114
PubChem CID:	48417019
Reduced:	O2N6H12C15 (1)
Stoich.:	A2B6C12D15 (1)
Weight, g/mol:	268.041882
ΔH_f, kcal/mol:	83.37
Dipole, Da:	8.14
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CN(N=C1C(=O)N2C(=C(C=N2)C#N)N)C3=CC=CC=C3

DOS

IR

Vibrations