Geometry & MOs

Info

ID:	217077
PubChem CID:	85087211
Reduced:	PF3O3C14H26 (1)
Stoich.:	AB3C3D14E26 (1)
Weight, g/mol:	330.110338
ΔH_f, kcal/mol:	-401.66
Dipole, Da:	3.75
IP(EA), eV:	-9.69(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CCCC(=C(CP(=O)(OC(C)C)OC(C)C)C(F)(F)F)C

DOS

IR

Vibrations