Geometry & MOs

Info

ID:

221721

PubChem CID:

85286075

Reduced:

NO5C16H20 (2)

Stoich.:

AB5C16D20 (2)

Weight, g/mol:

612.317205

ΔHf, kcal/mol:

-345.63

Dipole, Da:

5.19

IP(EA), eV:

 -9.5(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-7-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-amine

Drug info:

PubChemData

Smile

CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1NOC(=O)C6=CC=CC=C6)O4)O)O)OC(=O)C7=CC=CN7)(C(C)C)O)C)O)C)O

DOS

IR

Vibrations