Geometry & MOs

Info

ID:

188973

PubChem CID:

77796031

Reduced:

N3O4C29H35 (1)

Stoich.:

A3B4C29D35 (1)

Weight, g/mol:

528.262422

ΔHf, kcal/mol:

-98.52

Dipole, Da:

6.07

IP(EA), eV:

 -8.43(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)NC2CCC3(C4CC5=C6C3(C2OC6=C(C=C5)O)CCN4CC7CC7)O

DOS

IR

Vibrations