Geometry & MOs

Info

ID:

320411

PubChem CID:

126660334

Reduced:

NO4C34H55 (1)

Stoich.:

AB4C34D55 (1)

Weight, g/mol:

571.423674

ΔHf, kcal/mol:

-157.02

Dipole, Da:

5.02

IP(EA), eV:

 -8.6(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1',3,9'-trimethyl-1'-propylspiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,7'-4,4a,4b,5,6,8,10,10a-octahydro-3H-benzo[a]azulene]-2'-ylidene]acetaldehyde

Drug info:

PubChemData

Smile

CCC1([C@@H]([C@H]2[C@H](O1)CC(CN2CCOCCOC)C)C)CC[C@H]\3C4CCC5=CC(=O)CCC5([C@H]4C/C3=C\C)C

DOS

IR

Vibrations