Geometry & MOs

Info

ID:	368897
PubChem CID:	127330889
Reduced:	ON8C15H16 (1)
Stoich.:	AB8C15D16 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	113.02
Dipole, Da:	4.44
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)NC4=NN=C5N4C=CC=C5

DOS

IR

Vibrations