Geometry & MOs

Info

ID:	363010
PubChem CID:	127310035
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	374.243024
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	8.03
IP(EA), eV:	-8.92(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=CC4=C(CCCC4)NC3=O

DOS

IR

Vibrations