Geometry & MOs

Info

ID:	44107
PubChem CID:	10500712
Reduced:	OSN2F3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	392.162374
ΔH_f, kcal/mol:	-109.36
Dipole, Da:	7.93
IP(EA), eV:	-8.38(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,4-dihydrochromene-3,4-diol

Drug info:

PubChemData

Smile

COC1=C(C(=NN1CC2=CC=CC=C2)C(F)(F)F)CC3=CC=C(C=C3)SC

DOS

IR

Vibrations