Geometry & MOs

Info

ID:	366658
PubChem CID:	127320187
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	35.65
Dipole, Da:	1.8
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)CC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations