Geometry & MOs

Info

ID:	345226
PubChem CID:	127268986
Reduced:	SO2N6C13H18 (1)
Stoich.:	AB2C6D13E18 (1)
Weight, g/mol:	319.175673
ΔH_f, kcal/mol:	5.6
Dipole, Da:	3.01
IP(EA), eV:	-8.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)N2CCN(CC2)CC3=NC(=NO3)C

DOS

IR

Vibrations