Geometry & MOs

Info

ID:

307905

PubChem CID:

125310701

Reduced:

ClN7O7C42H50 (1)

Stoich.:

AB7C7D42E50 (1)

Weight, g/mol:

299.152144

ΔHf, kcal/mol:

-268.56

Dipole, Da:

2.38

IP(EA), eV:

 -8.79(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,4aS,7aS,12bS)-7-methoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2N(C1=O)CCCN3CCC(CC3)N4C5=C(C=C(C=C5)Cl)N(C4=O)CCCN6C7=CC=CC=C7N(C6=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations