Geometry & MOs

Info

ID:	383251
PubChem CID:	134974874
Reduced:	PO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	273.054753
ΔH_f, kcal/mol:	-221.88
Dipole, Da:	3.59
IP(EA), eV:	-8.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(C=CC(=C1)OC)CC(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations