Geometry & MOs

Info

ID:	348381
PubChem CID:	127273446
Reduced:	ClON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-14.85
Dipole, Da:	2.11
IP(EA), eV:	-9.5(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylcyclohexyl)-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(CCCCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations