Geometry & MOs

Info

ID:	348296
PubChem CID:	127273361
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	342.151433
ΔH_f, kcal/mol:	-64.24
Dipole, Da:	3.85
IP(EA), eV:	-9.6(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-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)[C@@H]3CCCN3C(=O)C

DOS

IR

Vibrations