Geometry & MOs

Info

ID:	429763
PubChem CID:	135169815
Reduced:	SF3N9H20C22 (1)
Stoich.:	AB3C9D20E22 (1)
Weight, g/mol:	251.118238
ΔH_f, kcal/mol:	89.85
Dipole, Da:	4.46
IP(EA), eV:	-8.68(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(fluoromethyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(/C(=C\C(=C/N=C)\NC(=C)/C(=C/N)/C(=NC1=CC=CC2=C1SC=N2)C(F)(F)F)/C#N)/N=C\C=N

DOS

IR

Vibrations