Geometry & MOs

Info

ID:	298875
PubChem CID:	117662335
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	278.115424
ΔH_f, kcal/mol:	-128.46
Dipole, Da:	2.98
IP(EA), eV:	-9.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-(acetyloxymethyl)-2,3-dihydro-1-benzofuran-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1COC2=C1C=CC(=C2)COC3=NC(=CC=C3)Br

DOS

IR

Vibrations