Geometry & MOs

Info

ID:	167323
PubChem CID:	74809762
Reduced:	O2F3N4C18H26 (1)
Stoich.:	A2B3C4D18E26 (1)
Weight, g/mol:	386.192961
ΔH_f, kcal/mol:	-178.01
Dipole, Da:	8.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752249
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylpiperazin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C(=O)C2CC(NN2)COC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations