Geometry & MOs

Info

ID:	15760
PubChem CID:	449668
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	289.174475
ΔH_f, kcal/mol:	-121.15
Dipole, Da:	5.79
IP(EA), eV:	-8.93(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-5-[(1S,2R)-1-hydroxy-2-((211C)propan-2-ylamino)butyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC[C@H]([C@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)N[11CH](C)C

DOS

IR

Vibrations