Geometry & MOs

Info

ID:

127708

PubChem CID:

51012588

Reduced:

NO10C51H79 (1)

Stoich.:

AB10C51D79 (1)

Weight, g/mol:

268.157563

ΔHf, kcal/mol:

-395.11

Dipole, Da:

5.82

IP(EA), eV:

 -8.2(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,12S,16S)-16-ethyl-9,15-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene-15-carbaldehyde

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@]12C[C@@H]([C@@]3(CC(C1C3OC(=O)C4=CC=C(C=C4)OC)[C@@]56[C@@H](CC[C@]7(C5C([C@@H]2C6N(C7)CC)OC)COC)OC)O)OC

DOS

IR

Vibrations