Geometry & MOs

Info

ID:	261015
PubChem CID:	103214324
Reduced:	ClINO2H9C13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	391.92765
ΔH_f, kcal/mol:	2.88
Dipole, Da:	5.21
IP(EA), eV:	-9.63(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(2,6-difluoro-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations