Geometry & MOs

Info

ID:	174916
PubChem CID:	75832120
Reduced:	O4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	358.204314
ΔH_f, kcal/mol:	-85.63
Dipole, Da:	5.72
IP(EA), eV:	-9.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-fluorophenyl)ethyl-methyl-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)C=CC2=C3C(=CC=C2)OCCCO3

DOS

IR

Vibrations