Geometry & MOs

Info

ID:

390168

PubChem CID:

134997532

Reduced:

O31H102C116 (1)

Stoich.:

A31B102C116 (1)

Weight, g/mol:

471.219829

ΔHf, kcal/mol:

-932.04

Dipole, Da:

7.65

IP(EA), eV:

 -8.87(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4R)-6-methyl-1-(4-methylphenyl)-2,4,8-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)COC4C(C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations