Geometry & MOs

Info

ID:	76592
PubChem CID:	48425125
Reduced:	SN2O2F3C19H27 (1)
Stoich.:	AB2C2D3E19F27 (1)
Weight, g/mol:	362.192961
ΔH_f, kcal/mol:	-231.95
Dipole, Da:	2.31
IP(EA), eV:	-8.93(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-propyl-1H-pyrazol-3-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CSCCC2=CC=CC=C2

DOS

IR

Vibrations