Geometry & MOs

Info

ID:	154446
PubChem CID:	56313886
Reduced:	SN2F3O4C20H21 (1)
Stoich.:	AB2C3D4E20F21 (1)
Weight, g/mol:	382.128646
ΔH_f, kcal/mol:	-276.49
Dipole, Da:	2.57
IP(EA), eV:	-9.14(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylsulfonylpiperidin-3-yl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(S1)C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations