Geometry & MOs

Info

ID:	261014
PubChem CID:	103214323
Reduced:	NF3O3C10H10 (1)
Stoich.:	AB3C3D10E10 (1)
Weight, g/mol:	372.93665
ΔH_f, kcal/mol:	-237.26
Dipole, Da:	4.34
IP(EA), eV:	-9.44(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(5-methoxypyridin-3-yl)methanone

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C(=O)COCC(F)(F)F

DOS

IR

Vibrations