Geometry & MOs

Info

ID:	358281
PubChem CID:	127295826
Reduced:	O2N4C21H36 (1)
Stoich.:	A2B4C21D36 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	-120.16
Dipole, Da:	5.22
IP(EA), eV:	-8.85(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-1-yl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NC3CCN4C3CCCC4

DOS

IR

Vibrations