Geometry & MOs

Info

ID:	348556
PubChem CID:	127273667
Reduced:	BrON6C14H17 (1)
Stoich.:	ABC6D14E17 (1)
Weight, g/mol:	348.173231
ΔH_f, kcal/mol:	53.97
Dipole, Da:	4.7
IP(EA), eV:	-9.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations