Geometry & MOs

Info

ID:	153748
PubChem CID:	56313059
Reduced:	S2O3N4C22H22 (1)
Stoich.:	A2B3C4D22E22 (1)
Weight, g/mol:	360.213696
ΔH_f, kcal/mol:	-31.75
Dipole, Da:	6.1
IP(EA), eV:	-8.67(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperidin-1-yl)propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCCN3C(=NC4=CC=CC=C43)C

DOS

IR

Vibrations