Geometry & MOs

Info

ID:	337205
PubChem CID:	127256770
Reduced:	N2O3C9H20 (1)
Stoich.:	A2B3C9D20 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-153.13
Dipole, Da:	1.76
IP(EA), eV:	-9.09(1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-heptan-2-yl-3-hydroxy-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C[C@@H](CNCCC1[C@H]([C@H](CN1)O)O)O

DOS

IR

Vibrations