Geometry & MOs

Info

ID:	27454
PubChem CID:	821421
Reduced:	OC5H8 (4)
Stoich.:	AB5C8 (4)
Weight, g/mol:	278.115424
ΔH_f, kcal/mol:	-214.0
Dipole, Da:	4.38
IP(EA), eV:	-10.0(2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-methoxychromen-2-one

Drug info:

PubChemData

Smile

C[C@@]12C[C@H](CC([C@H]1[C@@H](C[C@@]34[C@@H]2C[C@H]5[C@@H](C3)[C@]5(C4)C)O)(CO)CO)O

DOS

IR

Vibrations