Geometry & MOs

Info

ID:	189554
PubChem CID:	77872408
Reduced:	N3O7C28H33 (1)
Stoich.:	A3B7C28D33 (1)
Weight, g/mol:	326.13972
ΔH_f, kcal/mol:	-198.19
Dipole, Da:	5.19
IP(EA), eV:	-9.63(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(3-hydroxy-2-methylpropyl)amino]propoxy]-4aH-quinolin-2-one;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CCCN1C(=O)CCC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations