Geometry & MOs

Info

ID:	385728
PubChem CID:	134979844
Reduced:	OC13H24 (1)
Stoich.:	AB13C24 (1)
Weight, g/mol:	342.110338
ΔH_f, kcal/mol:	-80.39
Dipole, Da:	2.41
IP(EA), eV:	-9.47(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4aR,8aS)-2-(4-methoxyphenyl)-4,7-dioxo-4a,8-dihydrochromene-8a-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CC[C@H](C=C1)CCCO

DOS

IR

Vibrations