Geometry & MOs

Info

ID:

182538

PubChem CID:

76902074

Reduced:

N4O4C29H38 (1)

Stoich.:

A4B4C29D38 (1)

Weight, g/mol:

536.231122

ΔHf, kcal/mol:

-106.7

Dipole, Da:

7.63

IP(EA), eV:

 -8.9(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aR,7S,7aR)-N-[2-[4-(1,3-benzodioxol-5-yl)phenyl]ethyl]-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-carboxamide

Drug info:

PubChemData

Smile

C/C(=N\OCC(=O)O)/C1=NC2=CC=CC=C2N(C1=O)C3CC4CCC(C3)N4C5CC6CCCCC(C6)C5

DOS

IR

Vibrations