Geometry & MOs

Info

ID:	323316
PubChem CID:	126674129
Reduced:	ClN8C19H21 (1)
Stoich.:	AB8C19D21 (1)
Weight, g/mol:	323.95527
ΔH_f, kcal/mol:	113.43
Dipole, Da:	1.99
IP(EA), eV:	-8.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-4-chlorophenoxy)methyl]benzaldehyde

Drug info:

PubChemData

Smile

C1C(CC2C1CNC2)N(C3=CN(N=C3)C4=CC=CC=N4)C5=NC=C(C(=N5)N)Cl

DOS

IR

Vibrations