Geometry & MOs

Info

ID:

164669

PubChem CID:

74435720

Reduced:

O3N8C31H46 (1)

Stoich.:

A3B8C31D46 (1)

Weight, g/mol:

487.238353

ΔHf, kcal/mol:

-67.45

Dipole, Da:

2.5

IP(EA), eV:

 -8.4(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-piperidin-1-ylimidazol-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)[N+](=C2C=NC(=NC2=[N+]1C3CCCC3)NC4=C(C(=C(C=C4)C5CC(N(C(C5)(C)C)C)(C)C)C(=O)N)OC)C

DOS

IR

Vibrations