Geometry & MOs

Info

ID:	345703
PubChem CID:	127270003
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-37.2
Dipole, Da:	6.43
IP(EA), eV:	-8.89(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=C2N1C=CC=C2)NC(=O)C3CCCN(C3)C(=O)N4CCCC4

DOS

IR

Vibrations