Geometry & MOs

Info

ID:	136563
PubChem CID:	52065005
Reduced:	SO2N6C19H23 (1)
Stoich.:	AB2C6D19E23 (1)
Weight, g/mol:	398.152495
ΔH_f, kcal/mol:	78.11
Dipole, Da:	7.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.936225
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NN2)C(=O)NC3CC[NH+](CC3)CC4=NC(=NO4)C5=CC=CS5

DOS

IR

Vibrations