Geometry & MOs

Info

ID:

123775

PubChem CID:

50861648

Reduced:

ClFN3O3C25H25 (1)

Stoich.:

ABC3D3E25F25 (1)

Weight, g/mol:

475.247107

ΔHf, kcal/mol:

-147.68

Dipole, Da:

11.16

IP(EA), eV:

 -8.66(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-1-(2,3-dimethylphenyl)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)C(CC1(C)C)C

DOS

IR

Vibrations