Geometry & MOs

Info

ID:	154425
PubChem CID:	56313860
Reduced:	FSN3O4C21H24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	360.213696
ΔH_f, kcal/mol:	-143.54
Dipole, Da:	7.91
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1CCCCN1C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations