Geometry & MOs

Info

ID:	73031
PubChem CID:	48416846
Reduced:	F2O2N5H11C14 (1)
Stoich.:	A2B2C5D11E14 (1)
Weight, g/mol:	334.10659
ΔH_f, kcal/mol:	-80.11
Dipole, Da:	3.04
IP(EA), eV:	-9.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)C(=O)NCCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations