Geometry & MOs

Info

ID:

446791

PubChem CID:

135277746

Reduced:

NOSH35C54 (1)

Stoich.:

ABCD35E54 (1)

Weight, g/mol:

480.217284

ΔHf, kcal/mol:

198.61

Dipole, Da:

1.41

IP(EA), eV:

 -8.0(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[(2S)-5-(4-fluorophenoxy)-1-[hydroxy(methoxy)methyl]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=C(C=C7C8=CC=CC=C8SC7=C6)C9=CC1=C(C=C9)OC2=CC=CC=C21

DOS

IR

Vibrations