Geometry & MOs

Info

ID:

323558

PubChem CID:

126675468

Reduced:

O2N3C27H35 (1)

Stoich.:

A2B3C27D35 (1)

Weight, g/mol:

267.162314

ΔHf, kcal/mol:

-56.96

Dipole, Da:

3.81

IP(EA), eV:

-8.49(-0.67)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[3-(3-ethylphenoxy)phenyl]pyrrolidine

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC(=CC(=N2)N3C(=CC=C3C)C)C(C4CCCCCC4)OC(=O)C)C

DOS

IR

Vibrations