Geometry & MOs

Info

ID:	38366
PubChem CID:	8032832
Reduced:	N2O2C22H31 (1)
Stoich.:	A2B2C22D31 (1)
Weight, g/mol:	310.184527
ΔH_f, kcal/mol:	-58.47
Dipole, Da:	5.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.406413
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=CC=C(C3=CC=CC=C23)OC

DOS

IR

Vibrations