Geometry & MOs

Info

ID:

1333

PubChem CID:

4185

Reduced:

NO4C23H24 (2)

Stoich.:

AB4C23D24 (2)

Weight, g/mol:

756.341067

ΔHf, kcal/mol:

-279.1

Dipole, Da:

6.13

IP(EA), eV:

 -7.72(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol

Drug info:

PubChemData

Smile

CC1CC2=C(C(=CC(=C2C(N1)C)O)O)C3=CC(=C(C4=C3C=C(C=C4OC)C)O)C5=C(C6=C(C=C(C=C6OC)C)C(=C5)C7=C8CC(NC(C8=C(C=C7O)O)C)C)O

DOS

IR

Vibrations