Geometry & MOs

Info

ID:	45866
PubChem CID:	10518345
Reduced:	NC10H16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	300.035335
ΔH_f, kcal/mol:	-14.6
Dipole, Da:	2.52
IP(EA), eV:	-8.68(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-6-(4-fluorophenyl)pyran-4-one

Drug info:

PubChemData

Smile

C1CCCC(CC1)CC(C2=CC=CC=C2N3CCCCC3)N

DOS

IR

Vibrations