Geometry & MOs

Info

ID:	70369
PubChem CID:	48413251
Reduced:	SN2O2F3C20H23 (1)
Stoich.:	AB2C2D3E20F23 (1)
Weight, g/mol:	416.149382
ΔH_f, kcal/mol:	-190.16
Dipole, Da:	6.88
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(1-methylpyrazol-4-yl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations