Geometry & MOs

Info

ID:	207704
PubChem CID:	80440471
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	239.095771
ΔH_f, kcal/mol:	-16.57
Dipole, Da:	4.81
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2-nitrophenyl)-4-methylpentan-2-one

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=CN=C2S1)CC(=O)CC(C)C

DOS

IR

Vibrations