Geometry & MOs

Info

ID:	367155
PubChem CID:	127323571
Reduced:	SO2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	2.9
IP(EA), eV:	-8.99(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C3=CC4=C(C=C3)SC(C(=O)N4)C

DOS

IR

Vibrations