Geometry & MOs

Info

ID:	321673
PubChem CID:	126666776
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-56.53
Dipole, Da:	8.09
IP(EA), eV:	-8.89(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-N-(2-methyloxan-4-yl)-3-nitroquinolin-4-amine

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](CCO1)NC2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])OC

DOS

IR

Vibrations