Geometry & MOs

Info

ID:	151694
PubChem CID:	56269483
Reduced:	FO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	493.125915
ΔH_f, kcal/mol:	-103.69
Dipole, Da:	5.57
IP(EA), eV:	-8.55(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC(=NC=C3)F

DOS

IR

Vibrations