Geometry & MOs

Info

ID:	268677
PubChem CID:	103600415
Reduced:	ON3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	354.9247
ΔH_f, kcal/mol:	24.74
Dipole, Da:	4.26
IP(EA), eV:	-8.77(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(2-chloro-4-nitrophenoxy)benzaldehyde

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC2=NC=CN=C2

DOS

IR

Vibrations