Geometry & MOs

Info

ID:	73147
PubChem CID:	48417086
Reduced:	ON3H7C9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	294.031981
ΔH_f, kcal/mol:	46.78
Dipole, Da:	8.94
IP(EA), eV:	-9.18(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2-chloro-4-fluorophenoxy)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations