Geometry & MOs

Info

ID:	89334
PubChem CID:	49960533
Reduced:	NBr2O2H11C13 (2)
Stoich.:	AB2C2D11E13 (2)
Weight, g/mol:	454.189257
ΔH_f, kcal/mol:	-94.56
Dipole, Da:	5.92
IP(EA), eV:	-8.78(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-methoxyphenyl)-1-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,3-dihydroquinoxalin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(=O)N2CCN(C3=CC=CC=C32)C(=O)COC4=C(C=C(C=C4C)Br)Br)Br)Br

DOS

IR

Vibrations