Geometry & MOs

Info

ID:	294377
PubChem CID:	117454921
Reduced:	BrN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	282.02554
ΔH_f, kcal/mol:	3.07
Dipole, Da:	3.64
IP(EA), eV:	-9.05(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)butanal

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C2=CC(=NO2)N)OC)Br

DOS

IR

Vibrations