Geometry & MOs

Info

ID:	261004
PubChem CID:	103213948
Reduced:	N2O2F3C9H11 (1)
Stoich.:	A2B2C3D9E11 (1)
Weight, g/mol:	403.94763
ΔH_f, kcal/mol:	-202.66
Dipole, Da:	1.84
IP(EA), eV:	-9.95(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-iodophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)COCC(F)(F)F

DOS

IR

Vibrations