Geometry & MOs

Info

ID:

314388

PubChem CID:

126621739

Reduced:

ON7C13H17 (1)

Stoich.:

AB7C13D17 (1)

Weight, g/mol:

778.225643

ΔHf, kcal/mol:

81.08

Dipole, Da:

1.48

IP(EA), eV:

 -8.48(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-[7-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)dibenzofuran-3-yl]-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)NO

DOS

IR

Vibrations