Geometry & MOs

Info

ID:

444582

PubChem CID:

135262904

Reduced:

N2O3C28H30 (2)

Stoich.:

A2B3C28D30 (2)

Weight, g/mol:

442.225643

ΔHf, kcal/mol:

-130.81

Dipole, Da:

8.92

IP(EA), eV:

 -8.41(-0.08)

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(C=C4)N(CC5)C(=O)C)C.CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(CN(C5)C(=O)C)C=C4)C

DOS

IR

Vibrations