Geometry & MOs

Info

ID:

411987

PubChem CID:

135084850

Reduced:

OPC25H26 (2)

Stoich.:

ABC25D26 (2)

Weight, g/mol:

438.245333

ΔHf, kcal/mol:

-29.3

Dipole, Da:

3.28

IP(EA), eV:

 -8.07(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-tert-butyl-3-[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)PC2=C(C3=CC=CC=C3C=C2OC(C)C)C4=C(C(=CC5=CC=CC=C54)OC(C)C)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C

DOS

IR

Vibrations