Geometry & MOs

Info

ID:

188986

PubChem CID:

77796945

Reduced:

N2O5C34H40 (1)

Stoich.:

A2B5C34D40 (1)

Weight, g/mol:

586.200128

ΔHf, kcal/mol:

-131.09

Dipole, Da:

6.24

IP(EA), eV:

 -8.37(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[[2-(3,4-dichlorophenyl)acetyl]-(2-methylpropyl)amino]-11-hydroxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC(=O)N(C)C2CCC3(C4CC5=C6C3(C2OC6=C(C=C5)OC)CCN4CC7CC7)OC(=O)C

DOS

IR

Vibrations