Geometry & MOs

Info

ID:	73073
PubChem CID:	48416941
Reduced:	O2N6H12C15 (1)
Stoich.:	A2B6C12D15 (1)
Weight, g/mol:	286.025753
ΔH_f, kcal/mol:	66.4
Dipole, Da:	6.06
IP(EA), eV:	-9.51(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5-chloro-1-benzofuran-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations