Geometry & MOs

Info

ID:	126790
PubChem CID:	50978988
Reduced:	OF2N2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	1.91
IP(EA), eV:	-9.43(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-3-methylpyrazine

Drug info:

PubChemData

Smile

CCCC1=NC=CN1C2=CC(=C(C(=C2)F)F)O

DOS

IR

Vibrations