Geometry & MOs

Info

ID:	360903
PubChem CID:	127301600
Reduced:	FO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	374.192961
ΔH_f, kcal/mol:	-32.29
Dipole, Da:	3.17
IP(EA), eV:	-8.93(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations