Geometry & MOs

Info

ID:	14186
PubChem CID:	406267
Reduced:	FO2H15C21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	318.105608
ΔH_f, kcal/mol:	-40.94
Dipole, Da:	3.63
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-fluorophenyl)methylidene]-2,3-dihydrobenzo[i][1]benzoxepin-5-one

Drug info:

PubChemData

Smile

C1COC2=C(C=CC3=CC=CC=C32)C(=O)C1=CC4=CC=C(C=C4)F

DOS

IR

Vibrations