Geometry & MOs

Info

ID:	283211
PubChem CID:	103964475
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	24.11
Dipole, Da:	5.14
IP(EA), eV:	-8.86(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-nitroquinolin-4-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(CN1C2=C(C=NC3=CC=CC=C32)N=C1N)COC

DOS

IR

Vibrations