Geometry & MOs

Info

ID:	344437
PubChem CID:	127267613
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-84.25
Dipole, Da:	2.84
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C(C)(C)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations