Geometry & MOs

Info

ID:	374520
PubChem CID:	131330799
Reduced:	INF2O3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	328.93605
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	0.89
IP(EA), eV:	-10.27(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethyl)-1-iodo-3-methoxy-2-nitrobenzene

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C=O)C(F)F)I)[N+](=O)[O-]

DOS

IR

Vibrations