Geometry & MOs

Info

ID:	154846
PubChem CID:	56314388
Reduced:	N2S2O5H20C21 (1)
Stoich.:	A2B2C5D20E21 (1)
Weight, g/mol:	374.229346
ΔH_f, kcal/mol:	-132.6
Dipole, Da:	1.99
IP(EA), eV:	-8.38(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-methylpiperidin-1-yl)butyl]-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)NC3=CC4=C(C=C3)OC(O4)(C)C

DOS

IR

Vibrations