Geometry & MOs

Info

ID:

188974

PubChem CID:

77796032

Reduced:

N2O5C32H36 (1)

Stoich.:

A2B5C32D36 (1)

Weight, g/mol:

470.256943

ΔHf, kcal/mol:

-122.15

Dipole, Da:

4.47

IP(EA), eV:

 -8.57(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(11-hydroxy-3-prop-2-enyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)-N-methyl-3-(3-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)OC1=C2C3=C(CC4C5C3(CCN4CC6CC6)C(O2)C(CC5)N(C)C(=O)C=CC7=CC=CC=C7)C(=C1)O

DOS

IR

Vibrations