Geometry & MOs

Info

ID:	371047
PubChem CID:	127342231
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	319.175673
ΔH_f, kcal/mol:	-118.02
Dipole, Da:	4.51
IP(EA), eV:	-9.09(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)NC2CCN(C2)C(C)C3=CC=CC=C3

DOS

IR

Vibrations