Geometry & MOs

Info

ID:	351693
PubChem CID:	127280780
Reduced:	ON2C10H17 (2)
Stoich.:	AB2C10D17 (2)
Weight, g/mol:	386.243024
ΔH_f, kcal/mol:	-94.27
Dipole, Da:	3.24
IP(EA), eV:	-8.67(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CN2CCN(CC2)CC(=O)NC3CCCCC3

DOS

IR

Vibrations