Geometry & MOs

Info

ID:	83347
PubChem CID:	49857477
Reduced:	NO3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	371.209658
ΔH_f, kcal/mol:	-75.19
Dipole, Da:	5.37
IP(EA), eV:	-8.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,11cS)-9,10-dimethoxy-4,4,11c-trimethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-b][1]benzofuran-8-carboxamide

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CCC3=C2C4=CC(=C(C(=C4O3)C#N)OC)OC)(C)C

DOS

IR

Vibrations