Geometry & MOs

Info

ID:	366591
PubChem CID:	127320120
Reduced:	ON7C19H29 (1)
Stoich.:	AB7C19D29 (1)
Weight, g/mol:	341.160023
ΔH_f, kcal/mol:	29.04
Dipole, Da:	9.23
IP(EA), eV:	-8.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-1,2-oxazol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C(=C1)N3CCN(CC3)C(=O)C(C)N4CCCCCC4

DOS

IR

Vibrations