Geometry & MOs

Info

ID:

81580

PubChem CID:

49854885

Reduced:

N2O5C24H32 (1)

Stoich.:

A2B5C24D32 (1)

Weight, g/mol:

386.220557

ΔHf, kcal/mol:

-164.28

Dipole, Da:

2.89

IP(EA), eV:

 -8.48(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,4aS,7S,7aR)-3-(cyclopropylmethyl)-7-(2-hydroxyethylamino)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol

Drug info:

PubChemData

Smile

CC(C(=O)OC)N[C@H]1CC[C@]2([C@H]3CC4=C5C2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O

DOS

IR

Vibrations