Geometry & MOs

Info

ID:	375590
PubChem CID:	134214037
Reduced:	ClF3N4O4C19H22 (1)
Stoich.:	AB3C4D4E19F22 (1)
Weight, g/mol:	262.131526
ΔH_f, kcal/mol:	-286.04
Dipole, Da:	1.61
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylhexan-2-yl)pyrazole

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=C(C=N2)[C@@H](CO)O)Cl)C(NC3=CC=C(C=C3)OC(F)(F)F)O

DOS

IR

Vibrations