Geometry & MOs

Info

ID:	308858
PubChem CID:	126522941
Reduced:	N5H13C19 (1)
Stoich.:	A5B13C19 (1)
Weight, g/mol:	425.198238
ΔH_f, kcal/mol:	180.97
Dipole, Da:	7.34
IP(EA), eV:	-8.57(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-chloro-4-(1-piperidin-3-ylethylamino)quinolin-6-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC2=C/C(=C\3/C4=C(C=CC(=C4)C5=CC=NC=C5)NN3)/N=C2N=C1

DOS

IR

Vibrations