Geometry & MOs

Info

ID:	154318
PubChem CID:	56313734
Reduced:	NSF3O3C19H22 (1)
Stoich.:	ABC3D3E19F22 (1)
Weight, g/mol:	408.213696
ΔH_f, kcal/mol:	-240.8
Dipole, Da:	6.0
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)N(C)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations