Geometry & MOs

Info

ID:	11786
PubChem CID:	120973
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-13.96
Dipole, Da:	2.28
IP(EA), eV:	-8.09(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethyl]-4-phenylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)C=CC(=C2)OC)CCN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations