Geometry & MOs

Info

ID:	399202
PubChem CID:	135038648
Reduced:	C6H7 (2)
Stoich.:	A6B7 (2)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	46.33
Dipole, Da:	0.22
IP(EA), eV:	-9.35(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-pentyl-6,7-dihydro-5H-1-benzofuran-4-one

Drug info:

PubChemData

Smile

C=CCC1C[C@@H]1C2=CC=CC=C2

DOS

IR

Vibrations