Geometry & MOs

Info

ID:	73175
PubChem CID:	48417147
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	296.070954
ΔH_f, kcal/mol:	-28.92
Dipole, Da:	9.63
IP(EA), eV:	-9.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[5-(4-fluorophenyl)furan-2-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N)OCCC

DOS

IR

Vibrations