Geometry & MOs

Info

ID:

188972

PubChem CID:

77795862

Reduced:

F3N4O8C24H29 (1)

Stoich.:

A3B4C8D24E29 (1)

Weight, g/mol:

489.262757

ΔHf, kcal/mol:

-438.45

Dipole, Da:

13.29

IP(EA), eV:

 -9.46(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-benzyl-3-[3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-1-methylurea

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)N2CCC(=CC3=C(N4C5C(C3)CNC5C4=O)C(=O)O)C2=O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations