Geometry & MOs

Info

ID:	151764
PubChem CID:	56310537
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-175.44
Dipole, Da:	5.36
IP(EA), eV:	-8.43(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)OC(C)(C)C)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations