Geometry & MOs

Info

ID:

181918

PubChem CID:

76813931

Reduced:

ClFO2N4H24C25 (1)

Stoich.:

ABC2D4E24F25 (1)

Weight, g/mol:

484.247441

ΔHf, kcal/mol:

-1.6

Dipole, Da:

6.25

IP(EA), eV:

 -8.59(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]-1-(3-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3CCCN4C3=NOCC4C5=CC(=CC(=C5)Cl)F)OC

DOS

IR

Vibrations