Geometry & MOs

Info

ID:	348557
PubChem CID:	127273668
Reduced:	OSN6C16H24 (1)
Stoich.:	ABC6D16E24 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	2.31
Dipole, Da:	4.83
IP(EA), eV:	-8.72(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CSC3=NC=CN3C(C)(C)C

DOS

IR

Vibrations