Geometry & MOs

Info

ID:	360901
PubChem CID:	127301598
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	378.237939
ΔH_f, kcal/mol:	-1.21
Dipole, Da:	4.09
IP(EA), eV:	-8.6(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3CC4=CC=CC=C4S3

DOS

IR

Vibrations