Geometry & MOs

Info

ID:	355283
PubChem CID:	127288240
Reduced:	N6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	321.195346
ΔH_f, kcal/mol:	97.87
Dipole, Da:	3.35
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CCN(CC2)C3=C(C(=C(N=N3)C)C)C#N

DOS

IR

Vibrations