Geometry & MOs

Info

ID:	245051
PubChem CID:	99432255
Reduced:	N2O5H20C22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	388.178693
ΔH_f, kcal/mol:	-141.23
Dipole, Da:	3.12
IP(EA), eV:	-8.19(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-4-phenylbutyl) 2-pyrrolidin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC3=CC=CC=C3C=C2C(=O)OCC(=O)C4=C(C=C(C=C4)O)O

DOS

IR

Vibrations