Geometry & MOs

Info

ID:	400304
PubChem CID:	135047446
Reduced:	NC11H15 (1)
Stoich.:	AB11C15 (1)
Weight, g/mol:	797.12387
ΔH_f, kcal/mol:	19.49
Dipole, Da:	2.74
IP(EA), eV:	-8.07(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aR,7aS)-7-acetyl-7a-methyl-4,5,6,7-tetrahydro-3aH-1-benzofuran-5-yl]ethanone;azane;osmium(2+);trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CN1C=CC(=C1)C2=CCCCC2

DOS

IR

Vibrations