Geometry & MOs

Info

ID:	289643
PubChem CID:	104362568
Reduced:	NO2Br3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	309.113171
ΔH_f, kcal/mol:	-26.1
Dipole, Da:	4.04
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(4-ethylmorpholin-2-yl)ethanone

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CC(C3=C(C=C(C=N3)Br)Br)O)Br

DOS

IR

Vibrations