Geometry & MOs

Info

ID:	430000
PubChem CID:	135170057
Reduced:	Cl2N2O3H14C16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	318.07712
ΔH_f, kcal/mol:	-78.0
Dipole, Da:	4.9
IP(EA), eV:	-9.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3S)-3-(2-chlorophenyl)morpholin-4-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COCC(N1C2=NC=C(C=C2)C(=O)O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations