Geometry & MOs

Info

ID:	31163
PubChem CID:	854907
Reduced:	O6H8C11 (1)
Stoich.:	A6B8C11 (1)
Weight, g/mol:	290.115424
ΔH_f, kcal/mol:	-200.49
Dipole, Da:	5.42
IP(EA), eV:	-9.51(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxypropanoate

Drug info:

PubChemData

Smile

C1=C(C2=C(C=C(OC2=CC1=O)O)CC(=O)O)O

DOS

IR

Vibrations