Geometry & MOs

Info

ID:	351256
PubChem CID:	127280144
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-40.24
Dipole, Da:	8.36
IP(EA), eV:	-8.63(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)N2CCN(CC2)CC(=O)N(C)C3CCCCC3)C4CC4

DOS

IR

Vibrations