Geometry & MOs

Info

ID:	224530
PubChem CID:	85344492
Reduced:	NO4C7H13 (1)
Stoich.:	AB4C7D13 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-149.02
Dipole, Da:	2.36
IP(EA), eV:	-9.21(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-7a-methyl-3,3a,4,5-tetrahydro-2H-1-benzofuran

Drug info:

PubChemData

Smile

CN1C(CC(O1)CO)C(=O)OC

DOS

IR

Vibrations