Geometry & MOs

Info

ID:	129232
PubChem CID:	51072011
Reduced:	Cl2N2O2H4C9 (1)
Stoich.:	A2B2C2D4E9 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	33.65
Dipole, Da:	3.91
IP(EA), eV:	-9.94(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzaldehyde

Drug info:

PubChemData

Smile

C1=CN=CC2=C(C(=CC(=C21)Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations