Geometry & MOs

Info

ID:	73370
PubChem CID:	48417542
Reduced:	ClON6H9C14 (1)
Stoich.:	ABC6D9E14 (1)
Weight, g/mol:	230.080376
ΔH_f, kcal/mol:	98.8
Dipole, Da:	3.48
IP(EA), eV:	-9.51(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)N3C(=C(C=N3)C#N)N)Cl

DOS

IR

Vibrations