Geometry & MOs

Info

ID:	371082
PubChem CID:	127342317
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	347.206973
ΔH_f, kcal/mol:	-15.69
Dipole, Da:	4.57
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations