Geometry & MOs

Info

ID:

444581

PubChem CID:

135262903

Reduced:

N3O3C28H31 (1)

Stoich.:

A3B3C28D31 (1)

Weight, g/mol:

884.451286

ΔHf, kcal/mol:

-73.9

Dipole, Da:

4.03

IP(EA), eV:

 -8.02(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide;1-(2-acetyl-1,3-dihydroisoindol-5-yl)-N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CC4=C(CC(=O)N4)C=C3)N5CCCCC5

DOS

IR

Vibrations