Geometry & MOs

Info

ID:	333492
PubChem CID:	127252044
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	383.210996
ΔH_f, kcal/mol:	-53.0
Dipole, Da:	7.46
IP(EA), eV:	-9.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[6-(1-methylpyrazol-4-yl)pyridin-3-yl]piperidin-1-yl]methyl]quinoline

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)C3=CC=C(C=C3)C(=O)N)C(=O)C4=CNC(=O)C=C4

DOS

IR

Vibrations