Geometry & MOs

Info

ID:	346658
PubChem CID:	127271162
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	353.196408
ΔH_f, kcal/mol:	26.97
Dipole, Da:	0.95
IP(EA), eV:	-9.04(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)N3CCC(CC3)C4=NC(=NO4)C5=CC=CC=N5

DOS

IR

Vibrations