Geometry & MOs

Info

ID:	348375
PubChem CID:	127273440
Reduced:	OSN5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	43.25
Dipole, Da:	2.92
IP(EA), eV:	-9.5(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations