Geometry & MOs

Info

ID:	430001
PubChem CID:	135170058
Reduced:	ClN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	318.07712
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	5.0
IP(EA), eV:	-9.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chlorophenyl)-6-morpholin-4-ylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COC[C@@H](N1C2=NC=C(C=C2)C(=O)O)C3=CC=CC=C3Cl

DOS

IR

Vibrations