Geometry & MOs

Info

ID:	152970
PubChem CID:	56312074
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	424.191069
ΔH_f, kcal/mol:	-123.75
Dipole, Da:	3.54
IP(EA), eV:	-8.59(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations