Geometry & MOs

Info

ID:	27455
PubChem CID:	821433
Reduced:	O5C15H18 (1)
Stoich.:	A5B15C18 (1)
Weight, g/mol:	278.115424
ΔH_f, kcal/mol:	-195.89
Dipole, Da:	6.42
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)([C@@H](CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O

DOS

IR

Vibrations