Geometry & MOs

Info

ID:	129233
PubChem CID:	51072018
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	237.116507
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	4.27
IP(EA), eV:	-9.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=C(C=C(C=C2)Cl)C=O

DOS

IR

Vibrations