Geometry & MOs

Info

ID:

389177

PubChem CID:

134991396

Reduced:

N2O2C35H36 (1)

Stoich.:

A2B2C35D36 (1)

Weight, g/mol:

908.498905

ΔHf, kcal/mol:

20.24

Dipole, Da:

2.82

IP(EA), eV:

 -8.34(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(5-ethenyl-4-methyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-[(5-ethenyl-4-methyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-3,4-dihydroquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]-6-methoxy-3,4-dihydroquinoline

Drug info:

PubChemData

Smile

CC12CCN(CC1C=C)C(C2)C(C3CC=NC4=C3C=C(C=C4)OC)OC5=CC6=CC=CC=C6C7=CC=CC=C75

DOS

IR

Vibrations