Geometry & MOs

Info

ID:

219135

PubChem CID:

85090798

Reduced:

O11H30C32 (1)

Stoich.:

A11B30C32 (1)

Weight, g/mol:

591.236936

ΔHf, kcal/mol:

-331.75

Dipole, Da:

10.6

IP(EA), eV:

 -8.67(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyphenyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)OC(C)(C)C(COC4=C5C(=CC6=C4OC=C6)C=CC(=O)O5)O

DOS

IR

Vibrations