Geometry & MOs

Info

ID:

51264

PubChem CID:

12013907

Reduced:

N2O2H22C27 (2)

Stoich.:

A2B2C22D27 (2)

Weight, g/mol:

380.188863

ΔHf, kcal/mol:

26.62

Dipole, Da:

3.77

IP(EA), eV:

 -8.76(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-1-(2,5-dimethylphenyl)-2-[3-(2,5-dimethylphenyl)-1H-quinoxalin-2-ylidene]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3N4C2=C(C(=C(C4=O)C5=NC6=CC=CC=C6N=C5C7=C(C=CC(=C7)C)C)OC(=O)C8=C(C=CC(=C8)C)C)C(=O)C9=C(C=CC(=C9)C)C

DOS

IR

Vibrations