Geometry & MOs

Info

ID:	345222
PubChem CID:	127268982
Reduced:	SO2N6C15H20 (1)
Stoich.:	AB2C6D15E20 (1)
Weight, g/mol:	395.206973
ΔH_f, kcal/mol:	27.65
Dipole, Da:	3.67
IP(EA), eV:	-8.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)NC3=NC(=CS3)C4CC4

DOS

IR

Vibrations