Geometry & MOs

Info

ID:	383266
PubChem CID:	134974892
Reduced:	O3C23H30 (1)
Stoich.:	A3B23C30 (1)
Weight, g/mol:	284.123486
ΔH_f, kcal/mol:	-129.48
Dipole, Da:	2.7
IP(EA), eV:	-9.25(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-5-(1-benzothiophen-3-yl)pentan-2-yl]-5-methylfuran

Drug info:

PubChemData

Smile

C[C@]12CCC3(CC1=CCC4C2OC(C4)CCC5=CC=CC=C5)OCCO3

DOS

IR

Vibrations