Geometry & MOs

Info

ID:	152589
PubChem CID:	56311559
Reduced:	N3O5C27H35 (1)
Stoich.:	A3B5C27D35 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-171.72
Dipole, Da:	7.18
IP(EA), eV:	-8.26(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCCC2C3=C(C=C(C=C3)OC)OC)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations