Geometry & MOs

Info

ID:

313408

PubChem CID:

126614522

Reduced:

ON4H30C42 (1)

Stoich.:

AB4C30D42 (1)

Weight, g/mol:

371.188529

ΔHf, kcal/mol:

224.73

Dipole, Da:

5.94

IP(EA), eV:

 -8.52(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7E)-7-(4,6-dimethyl-4H-1,3-dioxin-2-ylidene)-10,11-dimethyl-6,11b-dihydroisoquinolino[2,1-a]quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(N3N2C3C4=CC5=C(C=CC6=C5C7=C(C=C6)N=C(O7)C8=CC=CC=C8)C=C4)C9=CC=C(C=C9)C1=CC=CC=C1

DOS

IR

Vibrations