Geometry & MOs

Info

ID:	399754
PubChem CID:	135042304
Reduced:	O4C15H23 (1)
Stoich.:	A4B15C23 (1)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-169.23
Dipole, Da:	1.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755069
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-hydroxy-2-methylheptan-3-yl)-2-methylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CCC[CH+]C(C1=CC(=C(O1)C)C(=O)OC)C(C)(C)O

DOS

IR

Vibrations