Geometry & MOs

Info

ID:	407753
PubChem CID:	135080508
Reduced:	FON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-72.02
Dipole, Da:	3.86
IP(EA), eV:	-8.57(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,7aS)-2-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CC[C@@]2([C@H]1NC3=CC=CC=C32)F

DOS

IR

Vibrations