Geometry & MOs

Info

ID:	348542
PubChem CID:	127273653
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	32.68
Dipole, Da:	3.27
IP(EA), eV:	-9.46(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2-dihydroacenaphthylene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations