Geometry & MOs

Info

ID:	150233
PubChem CID:	53789920
Reduced:	SC17H24 (1)
Stoich.:	AB17C24 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	6.1
Dipole, Da:	1.6
IP(EA), eV:	-8.4(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2,4a,5,6,7,7a-hexahydro-1H-[1]benzofuro[3,2-e]isoquinolin-4-one

Drug info:

PubChemData

Smile

CCC(CC=CC1=CC=CC=C1)C2CCCSC2

DOS

IR

Vibrations