Geometry & MOs

Info

ID:

44700

PubChem CID:

10505443

Reduced:

O8C27H44 (1)

Stoich.:

A8B27C44 (1)

Weight, g/mol:

496.366493

ΔHf, kcal/mol:

-416.89

Dipole, Da:

11.37

IP(EA), eV:

 -9.91(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaen-6-yl)octadecan-1-one

Drug info:

PubChemData

Smile

C[C@H](CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@]4([C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C)O)O)O)CO

DOS

IR

Vibrations