Geometry & MOs

Info

ID:	164101
PubChem CID:	74382006
Reduced:	N3O5C25H37 (1)
Stoich.:	A3B5C25D37 (1)
Weight, g/mol:	515.218699
ΔH_f, kcal/mol:	-228.88
Dipole, Da:	8.59
IP(EA), eV:	-9.14(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[1-[2-[2-(3-chlorophenyl)ethoxy]ethyl]-4-hydroxypiperidin-4-yl]methylamino]-1-hydroxyethyl]-8-hydroxy-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

C1CC(C2C(C1C(CNC3CCN(CC3)CC(=O)OCC4=CC=CC=C4)O)CCC(=O)N2)O

DOS

IR

Vibrations