Geometry & MOs

Info

ID:	68661
PubChem CID:	46508855
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	409.175004
ΔH_f, kcal/mol:	-163.25
Dipole, Da:	4.62
IP(EA), eV:	-8.43(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-5-[[4-[(2-nitrophenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)CN1CC2(CCCC2)C3=CC4=C(C=C3C1C)OCCO4

DOS

IR

Vibrations