Geometry & MOs

Info

ID:	122595
PubChem CID:	50813825
Reduced:	O3N5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	430.175339
ΔH_f, kcal/mol:	37.47
Dipole, Da:	8.64
IP(EA), eV:	-9.73(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NO2)CNC(=O)C3=CC=C(C=C3)C4=NOC(=N4)C(C)C

DOS

IR

Vibrations