Geometry & MOs

Info

ID:	420131
PubChem CID:	135111333
Reduced:	N4O6H26C27 (1)
Stoich.:	A4B6C26D27 (1)
Weight, g/mol:	416.257612
ΔH_f, kcal/mol:	-143.89
Dipole, Da:	3.39
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)C5=CC=CC=N5

DOS

IR

Vibrations