Geometry & MOs

Info

ID:	67995
PubChem CID:	46507569
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	317.083413
ΔH_f, kcal/mol:	-67.34
Dipole, Da:	9.23
IP(EA), eV:	-8.89(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)COC2=CC=C(C=C2)OC

DOS

IR

Vibrations