Geometry & MOs

Info

ID:	287350
PubChem CID:	104238153
Reduced:	ClFNO2H11C16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	264.066555
ΔH_f, kcal/mol:	-54.4
Dipole, Da:	1.63
IP(EA), eV:	-9.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C#N)F)Cl

DOS

IR

Vibrations