Geometry & MOs

Info

ID:

10762

PubChem CID:

107789

Reduced:

ClNO4C20H24 (1)

Stoich.:

ABC4D20E24 (1)

Weight, g/mol:

377.139386

ΔHf, kcal/mol:

-141.38

Dipole, Da:

6.94

IP(EA), eV:

 -8.75(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride

Drug info:

PubChemData

Smile

C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@@H]2CC6=C4C(=C(C=C6)O)O5)O.Cl

DOS

IR

Vibrations