Geometry & MOs

Info

ID:	283212
PubChem CID:	103964848
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	-0.37
Dipole, Da:	6.14
IP(EA), eV:	-9.55(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(3-nitroquinolin-4-yl)azetidin-3-ol

Drug info:

PubChemData

Smile

C1CN(CC1O)C2=C(C=NC3=CC=CC=C32)[N+](=O)[O-]

DOS

IR

Vibrations