Geometry & MOs

Info

ID:	32260
PubChem CID:	6436229
Reduced:	O3C6H8 (6)
Stoich.:	A3B6C8 (6)
Weight, g/mol:	168.042259
ΔH_f, kcal/mol:	-759.84
Dipole, Da:	8.09
IP(EA), eV:	-10.07(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-5-hydroxy-4-methyl-2-(2-oxopropylidene)furan-3-one

Drug info:

PubChemData

Smile

CC1C=C(C(=O)C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O

DOS

IR

Vibrations