Geometry & MOs

Info

ID:	299880
PubChem CID:	117823044
Reduced:	ON2H6C8 (1)
Stoich.:	AB2C6D8 (1)
Weight, g/mol:	517.235686
ΔH_f, kcal/mol:	154.56
Dipole, Da:	3.99
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[5-[4-(4-methylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pentyl]quinolin-4-amine

Drug info:

PubChemData

Smile

C1C=NC2=C3C(=CC=CN21)O3

DOS

IR

Vibrations