Geometry & MOs

Info

ID:	359748
PubChem CID:	127299695
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-71.18
Dipole, Da:	4.32
IP(EA), eV:	-8.99(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(CCO2)C(=O)C3=CNC=C3

DOS

IR

Vibrations