Geometry & MOs

Info

ID:	192465
PubChem CID:	78272407
Reduced:	FO6C20H23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	364.132217
ΔH_f, kcal/mol:	-195.99
Dipole, Da:	7.05
IP(EA), eV:	-8.53(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-(2-fluorophenoxy)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetate

Drug info:

PubChemData

Smile

CCOC(=O)COC1CCC2C(C1C)OC=C(C2=O)OC3=CC=CC=C3F

DOS

IR

Vibrations