Geometry & MOs

Info

ID:	138120
PubChem CID:	52316410
Reduced:	OC5H6 (5)
Stoich.:	AB5C6 (5)
Weight, g/mol:	226.084124
ΔH_f, kcal/mol:	-203.67
Dipole, Da:	1.61
IP(EA), eV:	-8.57(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3S)-3-hydroxybut-1-en-2-yl]-5-(hydroxymethyl)-4-methoxypyran-2-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=C2C[C@@H](C(OC2=C1O)(C)C)O)[C@H]3CCC4=C(O3)C=C(C=C4)O)C

DOS

IR

Vibrations