Geometry & MOs

Info

ID:	73367
PubChem CID:	48417531
Reduced:	FOSN4H9C15 (1)
Stoich.:	ABCD4E9F15 (1)
Weight, g/mol:	310.06776
ΔH_f, kcal/mol:	43.44
Dipole, Da:	6.79
IP(EA), eV:	-9.3(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(S2)C(=O)N3C(=C(C=N3)C#N)N)F

DOS

IR

Vibrations