Geometry & MOs

Info

ID:	73361
PubChem CID:	48417521
Reduced:	ClO2F3N5H7C12 (1)
Stoich.:	AB2C3D5E7F12 (1)
Weight, g/mol:	388.060614
ΔH_f, kcal/mol:	-132.43
Dipole, Da:	4.66
IP(EA), eV:	-9.55(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)OCC(F)(F)F)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations