Geometry & MOs

Info

ID:	261018
PubChem CID:	103214350
Reduced:	N2F3O3C9H9 (1)
Stoich.:	A2B3C3D9E9 (1)
Weight, g/mol:	399.9727
ΔH_f, kcal/mol:	-227.14
Dipole, Da:	5.3
IP(EA), eV:	-10.01(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(2-propoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=NC=CN=C1C(=O)COCC(F)(F)F

DOS

IR

Vibrations