Geometry & MOs

Info

ID:	153874
PubChem CID:	56313206
Reduced:	N2F3O4C21H27 (1)
Stoich.:	A2B3C4D21E27 (1)
Weight, g/mol:	491.211979
ΔH_f, kcal/mol:	-301.86
Dipole, Da:	1.96
IP(EA), eV:	-9.04(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2CCN(CC2)C(=O)C3CC3)OCC(F)(F)F

DOS

IR

Vibrations