Geometry & MOs

Info

ID:	11795
PubChem CID:	121087
Reduced:	FN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	344.190006
ΔH_f, kcal/mol:	-67.92
Dipole, Da:	2.14
IP(EA), eV:	-8.72(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-fluorophenyl)piperazine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=C3F)OC

DOS

IR

Vibrations