Geometry & MOs

Info

ID:	261019
PubChem CID:	103214369
Reduced:	ClIO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	360.91667
ΔH_f, kcal/mol:	-22.6
Dipole, Da:	4.55
IP(EA), eV:	-9.34(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(3-fluoropyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations