Geometry & MOs

Info

ID:	156793
PubChem CID:	56385651
Reduced:	O2N7H23C24 (1)
Stoich.:	A2B7C23D24 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	38.5
Dipole, Da:	3.63
IP(EA), eV:	-8.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclooctylamino)-2-oxoethyl] 2-pyrrolidin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC3=CC=CC=C3C=C2C(=O)OCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

DOS

IR

Vibrations