Geometry & MOs

Info

ID:	372526
PubChem CID:	131299216
Reduced:	ClNO2F4H4C7 (1)
Stoich.:	ABC2D4E4F7 (1)
Weight, g/mol:	354.8341
ΔH_f, kcal/mol:	-263.98
Dipole, Da:	2.44
IP(EA), eV:	-10.59(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-iodo-3-nitrobenzaldehyde

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1Cl)CO)OC(F)(F)F)F

DOS

IR

Vibrations