Geometry & MOs

Info

ID:

329533

PubChem CID:

126737875

Reduced:

OSN3H27C48 (1)

Stoich.:

ABC3D27E48 (1)

Weight, g/mol:

583.279469

ΔHf, kcal/mol:

223.31

Dipole, Da:

4.17

IP(EA), eV:

 -8.08(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-[(1-propanoylpiperidin-4-yl)amino]phenyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=CC=CC=C4C5=C3C6=C(C7=CC=CC=C75)C8=C(C=C6)OC9=CC=CC=C98)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations