Geometry & MOs

Info

ID:	399177
PubChem CID:	135038490
Reduced:	ZnO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	258.105608
ΔH_f, kcal/mol:	-165.28
Dipole, Da:	17.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.681565
Charge, e:	0

Chem-info

IUPAC name:

4-(6-fluoro-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol

Drug info:

PubChemData

Smile

COC1=[C-]C=CC(=C1)C(=O)OC.[Zn]

DOS

IR

Vibrations