Geometry & MOs

Info

ID:	321672
PubChem CID:	126666775
Reduced:	ON5H9C15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	124.36
Dipole, Da:	8.23
IP(EA), eV:	-9.34(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-N-[(2S,4S)-2-methyloxan-4-yl]-3-nitroquinolin-4-amine

Drug info:

PubChemData

Smile

C1=CC2=NC=C3C(=C2C=C1C#N)N=C(N3)CC4=NOC=C4

DOS

IR

Vibrations