Geometry & MOs

Info

ID:	153503
PubChem CID:	56312735
Reduced:	Cl2N2F3O3C21H21 (1)
Stoich.:	A2B2C3D3E21F21 (1)
Weight, g/mol:	360.213696
ΔH_f, kcal/mol:	-250.97
Dipole, Da:	2.83
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3)Cl

DOS

IR

Vibrations