Geometry & MOs

Info

ID:	12297
PubChem CID:	134274
Reduced:	NO2H27C30 (1)
Stoich.:	AB2C27D30 (1)
Weight, g/mol:	433.204179
ΔH_f, kcal/mol:	24.91
Dipole, Da:	3.42
IP(EA), eV:	-8.32(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-phenylbenzo[e][1]benzofuran-1-yl)phenoxy]ethyl]pyrrolidine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(OC4=C3C5=CC=CC=C5C=C4)C6=CC=CC=C6

DOS

IR

Vibrations