Geometry & MOs

Info

ID:	345674
PubChem CID:	127269974
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-76.46
Dipole, Da:	3.92
IP(EA), eV:	-9.24(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-N,3-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C1CCCCCC1

DOS

IR

Vibrations