Geometry & MOs

Info

ID:	311865
PubChem CID:	126598576
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	429.226371
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	7.43
IP(EA), eV:	-9.02(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN1C(=O)CC#N)OC2=C3C=C(C(=CC3=NC=C2)C(=O)N)OC(C)C

DOS

IR

Vibrations