Geometry & MOs

Info

ID:	202762
PubChem CID:	79722049
Reduced:	FON3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	275.095771
ΔH_f, kcal/mol:	6.69
Dipole, Da:	3.14
IP(EA), eV:	-10.39(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoropyridin-2-yl)methanol

Drug info:

PubChemData

Smile

C1=CC(=NC=C1F)C(=O)C2=CN=CN=C2

DOS

IR

Vibrations