Geometry & MOs

Info

ID:	330425
PubChem CID:	127247412
Reduced:	OSN5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	292.168797
ΔH_f, kcal/mol:	38.03
Dipole, Da:	4.19
IP(EA), eV:	-9.83(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations