Geometry & MOs

Info

ID:	152879
PubChem CID:	56311960
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	5.01
IP(EA), eV:	-8.54(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C2=CC=CC=C2)C(=O)NC3CC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations