Geometry & MOs

Info

ID:	327540
PubChem CID:	126690292
Reduced:	FNOC9H10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-53.28
Dipole, Da:	3.04
IP(EA), eV:	-9.12(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-7-methyl-4-phenylmethoxy-2H-oxepin-5-one

Drug info:

PubChemData

Smile

C1C=CC(=CC=C1CNC=O)F

DOS

IR

Vibrations