Geometry & MOs

Info

ID:	76464
PubChem CID:	48424957
Reduced:	SN2O2F4C19H22 (1)
Stoich.:	AB2C2D4E19F22 (1)
Weight, g/mol:	402.149045
ΔH_f, kcal/mol:	-261.21
Dipole, Da:	3.32
IP(EA), eV:	-8.88(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=C(C=C2)F)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations