Geometry & MOs

Info

ID:	358841
PubChem CID:	127296712
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	18.27
Dipole, Da:	8.0
IP(EA), eV:	-8.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC(=O)C2=CN3C(=NN=C3C=C2)C

DOS

IR

Vibrations