Geometry & MOs

Info

ID:	345660
PubChem CID:	127269960
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-53.36
Dipole, Da:	5.96
IP(EA), eV:	-9.3(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3NC(=O)CCC4=NN=C(O4)C5=CC6=CC=CC=C6O5

DOS

IR

Vibrations