Geometry & MOs

Info

ID:	148199
PubChem CID:	53787861
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-44.81
Dipole, Da:	1.18
IP(EA), eV:	-9.34(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3a,4-dihydro-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CCCOCC(C)(C)C1=CC=CC=C1

DOS

IR

Vibrations