Geometry & MOs

Info

ID:

168831

PubChem CID:

75024555

Reduced:

N4O8C37H40 (1)

Stoich.:

A4B8C37D40 (1)

Weight, g/mol:

440.224597

ΔHf, kcal/mol:

-144.68

Dipole, Da:

9.31

IP(EA), eV:

 -6.6(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-ethylphenyl)-N-methyl-N-[1-[3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C(N3C(C2)C4C5=C(CC(C3C#N)N4C)C(=C(C(=C5O)OC)C)OC)CNC(=O)C6=CC7=CC=CC=C7O6)C(=C1OC)O)OC

DOS

IR

Vibrations