Geometry & MOs

Info

ID:	156794
PubChem CID:	56385653
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	394.10842
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	5.1
IP(EA), eV:	-8.66(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-2-oxoethyl] 2-pyrrolidin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC3=CC=CC=C3N=C2N4CCCC4

DOS

IR

Vibrations