Geometry & MOs

Info

ID:	350799
PubChem CID:	127279087
Reduced:	ON7C20H31 (1)
Stoich.:	AB7C20D31 (1)
Weight, g/mol:	399.274659
ΔH_f, kcal/mol:	-6.76
Dipole, Da:	4.7
IP(EA), eV:	-8.52(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN1C=NC2=C1N=CN=C2N3CCN(CC3)CC(=O)NC4CCC(CC4)C

DOS

IR

Vibrations