Geometry & MOs

Info

ID:	121754
PubChem CID:	50780289
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	415.121131
ΔH_f, kcal/mol:	22.46
Dipole, Da:	2.33
IP(EA), eV:	-8.52(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=NOC(=N4)C5CCC5)C

DOS

IR

Vibrations