Geometry & MOs

Info

ID:	73248
PubChem CID:	48417279
Reduced:	ON5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	294.111676
ΔH_f, kcal/mol:	61.24
Dipole, Da:	8.78
IP(EA), eV:	-8.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations