Geometry & MOs

Info

ID:	153401
PubChem CID:	56312591
Reduced:	F3N3O3C24H26 (1)
Stoich.:	A3B3C3D24E26 (1)
Weight, g/mol:	424.208611
ΔH_f, kcal/mol:	-225.73
Dipole, Da:	5.08
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCC(C1=NC=C(N1)C2=CC=CC=C2)NC(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations