Geometry & MOs

Info

ID:	152765
PubChem CID:	56311831
Reduced:	N5O5C26H31 (1)
Stoich.:	A5B5C26D31 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-141.67
Dipole, Da:	4.63
IP(EA), eV:	-8.59(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)NC(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations