Geometry & MOs

Info

ID:	430017
PubChem CID:	135170074
Reduced:	ClN2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	352.103477
ΔH_f, kcal/mol:	-67.73
Dipole, Da:	4.72
IP(EA), eV:	-8.81(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C=C/C(=C\C=C(/N)\N1CCOCC1C2=CC=C(C=C2)Cl)/C(=O)O

DOS

IR

Vibrations