Geometry & MOs

Info

ID:

180773

PubChem CID:

76683368

Reduced:

N2O7C38H64 (1)

Stoich.:

A2B7C38D64 (1)

Weight, g/mol:

491.324667

ΔHf, kcal/mol:

-372.1

Dipole, Da:

4.89

IP(EA), eV:

 -8.01(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,6-bis(deuteriomethyl)-9-(1,1-dideuterioethyl)-11-oxo-8-(3,3,4,5,5-pentadeuterio-4-morpholin-4-ylpiperidin-1-yl)-5H-benzo[b]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)CC2CN3CCC2CC3)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations