Geometry & MOs

Info

ID:	386088
PubChem CID:	134980743
Reduced:	O3C10H12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	270.089209
ΔH_f, kcal/mol:	-252.44
Dipole, Da:	2.22
IP(EA), eV:	-9.49(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-5-methoxy-2-phenyl-8,8a-dihydro-4aH-chromene-4,7-dione

Drug info:

PubChemData

Smile

CC(=O)OC(CC1=CC[C@@H]([C@H](C1)C(=O)OC)C(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations