Geometry & MOs

Info

ID:	408440
PubChem CID:	135081206
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-19.54
Dipole, Da:	2.23
IP(EA), eV:	-8.81(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,8bS)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran

Drug info:

PubChemData

Smile

CC(CCC=O)N1C=CC=C1

DOS

IR

Vibrations