Geometry & MOs

Info

ID:	172323
PubChem CID:	75497027
Reduced:	N5C17H19 (1)
Stoich.:	A5B17C19 (1)
Weight, g/mol:	299.149458
ΔH_f, kcal/mol:	137.14
Dipole, Da:	5.73
IP(EA), eV:	-8.54(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[[4-([1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CN2C(=NC=C2CN(C)CC3=CN(N=C3)CC#C)C=C1

DOS

IR

Vibrations