Geometry & MOs

Info

ID:	376568
PubChem CID:	134222588
Reduced:	BrN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	469.1001
ΔH_f, kcal/mol:	-46.72
Dipole, Da:	4.41
IP(EA), eV:	-8.62(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(2-bromo-5,6-dihydrobenzo[f]quinoxalin-3-yl)amino]-3-(furan-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C(=C/C1=CC=CO1)/NC2=NC3=C(C4=CC=CC=C4CC3)N=C2Br

DOS

IR

Vibrations