Geometry & MOs

Info

ID:	80502
PubChem CID:	49834804
Reduced:	SO2F3N3C16H18 (1)
Stoich.:	AB2C3D3E16F18 (1)
Weight, g/mol:	358.107517
ΔH_f, kcal/mol:	-183.03
Dipole, Da:	4.79
IP(EA), eV:	-9.21(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminopiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=C(S2)C(=O)N3CCC(CC3)OC)C(F)(F)F

DOS

IR

Vibrations