Geometry & MOs

Info

ID:	144793
PubChem CID:	53414708
Reduced:	O2F3N3H8C11 (1)
Stoich.:	A2B3C3D8E11 (1)
Weight, g/mol:	299.9259
ΔH_f, kcal/mol:	-100.05
Dipole, Da:	2.95
IP(EA), eV:	-10.41(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-5-(trifluoromethyl)benzaldehyde

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations