Geometry & MOs

Info

ID:

169346

PubChem CID:

75090731

Reduced:

O11N14C55H74 (1)

Stoich.:

A11B14C55D74 (1)

Weight, g/mol:

750.358334

ΔHf, kcal/mol:

-389.76

Dipole, Da:

9.36

IP(EA), eV:

 -8.46(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2,3-dimethoxy-10-phenylmethoxy-7-[(4-trityloxyphenyl)methyl]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC3=CN=CN3)C(=O)NC(CC4=CN=CN4)C(=O)N5CCCC5C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC6=CC=C(C=C6)O)N

DOS

IR

Vibrations