Geometry & MOs

Info

ID:	398058
PubChem CID:	135031571
Reduced:	FO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-85.43
Dipole, Da:	1.24
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-methyl-2-propan-2-yl-3,4-dihydro-2H-oxepin-7-one

Drug info:

PubChemData

Smile

CC(=CCC1CC(=CC2=C1C(=O)C3=CC=CC=C3O2)F)C

DOS

IR

Vibrations