Geometry & MOs

Info

ID:	376556
PubChem CID:	134222575
Reduced:	BrN3H10C12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	525.10282
ΔH_f, kcal/mol:	49.05
Dipole, Da:	2.58
IP(EA), eV:	-8.54(-0.74)
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]-2-diethoxyphosphorylacetate

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)N=C(C(=N2)N)Br

DOS

IR

Vibrations