Geometry & MOs

Info

ID:	310068
PubChem CID:	126573634
Reduced:	ClN3O4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	-146.77
Dipole, Da:	3.85
IP(EA), eV:	-8.93(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(7-carbamoyl-6-propan-2-yloxyquinolin-4-yl)oxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1C#N)C(=CN=C2O[C@@H]3CCCN(C3)C(=O)OC(C)(C)C)Cl

DOS

IR

Vibrations