Geometry & MOs

Info

ID:	372754
PubChem CID:	131304006
Reduced:	ClNOF4H8C9 (1)
Stoich.:	ABCD4E8F9 (1)
Weight, g/mol:	354.8341
ΔH_f, kcal/mol:	-229.54
Dipole, Da:	1.86
IP(EA), eV:	-9.86(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-iodo-4-nitrobenzaldehyde

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)C(C(CO)(F)F)N)F)Cl

DOS

IR

Vibrations