Geometry & MOs

Info

ID:	321606
PubChem CID:	126666673
Reduced:	ClO3N4H27C28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	6.86
Dipole, Da:	2.36
IP(EA), eV:	-9.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-[(2R,4R)-2-methyloxan-4-yl]quinoline-3,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC2=NC3=CN=C4C=CC(=CC4=C3N2[C@H]5CCO[C@H](C5)COCC6=CC=CC=C6)Cl

DOS

IR

Vibrations