Geometry & MOs

Info

ID:	317439
PubChem CID:	126637668
Reduced:	ClO2N5C26H28 (1)
Stoich.:	AB2C5D26E28 (1)
Weight, g/mol:	424.202989
ΔH_f, kcal/mol:	-14.08
Dipole, Da:	6.78
IP(EA), eV:	-8.63(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[5-[2-(3-ethylquinolin-7-yl)ethyl]oxolan-2-yl]-5-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](C[C@H]([C@@H]2O1)N3C=CC4=C3N=CN=C4Cl)CCC5=CC6=C(C=C5)C=CC(=N6)NC)C

DOS

IR

Vibrations