Geometry & MOs

Info

ID:	335388
PubChem CID:	127254250
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	499.235873
ΔH_f, kcal/mol:	-136.47
Dipole, Da:	4.23
IP(EA), eV:	-8.93(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(1R)-4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-2,3,5-trimethylfuro[3,2-g]chromen-7-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2(CCCCC2[C@@H]1C3=CC=C(C=C3)OC)O

DOS

IR

Vibrations