Geometry & MOs

Info

ID:	374065
PubChem CID:	131323225
Reduced:	ClON4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	206.035477
ΔH_f, kcal/mol:	19.11
Dipole, Da:	3.55
IP(EA), eV:	-9.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-methyl-6-(trifluoromethyl)benzaldehyde

Drug info:

PubChemData

Smile

C1=CNC(=O)C=C1CNC2=CN=CC(=N2)Cl

DOS

IR

Vibrations