Geometry & MOs

Info

ID:	346668
PubChem CID:	127271172
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	367.212058
ΔH_f, kcal/mol:	18.28
Dipole, Da:	3.96
IP(EA), eV:	-8.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=CN=C2)NCC3CCCCO3)C

DOS

IR

Vibrations