Geometry & MOs

Info

ID:

187544

PubChem CID:

77588650

Reduced:

O4C23H31 (2)

Stoich.:

A4B23C31 (2)

Weight, g/mol:

473.17264

ΔHf, kcal/mol:

-414.73

Dipole, Da:

4.53

IP(EA), eV:

 -8.72(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,6-dimethyl-4-[1-(2,3,4-trifluorophenyl)ethyl]morpholin-3-one

Drug info:

PubChemData

Smile

CCCCC(=O)OC(CCCC(=O)OC1=CC(=CC2=C1C3CCC4(C(C3CC2)CCC4O)C)O)C5=CC(=CC6=C5C7CCC8(C(C7CC6)CCC8O)C)O

DOS

IR

Vibrations