Geometry & MOs

Info

ID:	357473
PubChem CID:	127294106
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	366.13036
ΔH_f, kcal/mol:	-93.06
Dipole, Da:	1.26
IP(EA), eV:	-8.36(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopropylpiperazin-1-yl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)N2CCC3=C(C2)C=NN3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations