Geometry & MOs

Info

ID:	143397
PubChem CID:	53202847
Reduced:	ClO2N6C22H27 (1)
Stoich.:	AB2C6D22E27 (1)
Weight, g/mol:	359.114903
ΔH_f, kcal/mol:	-3.94
Dipole, Da:	9.61
IP(EA), eV:	-8.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC(=NC2=NN=C(N12)C)N3CCN(CC3)C(=O)CC4=C(C=C(C=C4)OC)Cl

DOS

IR

Vibrations