Geometry & MOs

Info

ID:	65329
PubChem CID:	29214672
Reduced:	SO3N4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	1.97
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]ethyl]pyridine

Drug info:

PubChemData

Smile

CN(CC1=NC=CS1)C(=O)C2=C3CCN(CCN3C(=O)C=C2OC)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations