Geometry & MOs

Info

ID:	430962
PubChem CID:	135171032
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	388.166604
ΔH_f, kcal/mol:	52.26
Dipole, Da:	5.22
IP(EA), eV:	-8.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-5-methyl-6-[4-(1,2,3,4-tetrahydroquinolin-7-yloxy)piperidin-1-yl]pyrimidin-2-yl]methanol

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CN3C=NC=C3C=C2)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations