Geometry & MOs

Info

ID:

335389

PubChem CID:

127254251

Reduced:

NO5C31H33 (1)

Stoich.:

AB5C31D33 (1)

Weight, g/mol:

473.220223

ΔHf, kcal/mol:

-172.58

Dipole, Da:

6.77

IP(EA), eV:

 -8.78(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-[(1R)-4a-hydroxy-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Drug info:

PubChemData

Smile

CC1=C(OC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)N4CCC5(CCCCC5[C@@H]4C6=CC=CC=C6)O)C)C

DOS

IR

Vibrations