Geometry & MOs

Info

ID:	45369
PubChem CID:	10512156
Reduced:	O2H10C13 (1)
Stoich.:	A2B10C13 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	6.64
Dipole, Da:	3.88
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-4-(3-methylbutoxy)furan-3-one

Drug info:

PubChemData

Smile

C1C(=O)OC12C[C@@]23C=CC4=CC=CC=C34

DOS

IR

Vibrations