Geometry & MOs

Info

ID:	321531
PubChem CID:	126666537
Reduced:	FO2N4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	11.18
Dipole, Da:	3.53
IP(EA), eV:	-9.62(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-4-N-[(2S,4S)-2-methyloxan-4-yl]quinoline-3,4-diamine

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@@H]1NC2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])C#N)F

DOS

IR

Vibrations