Geometry & MOs

Info

ID:	361685
PubChem CID:	127304400
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-41.2
Dipole, Da:	3.94
IP(EA), eV:	-8.73(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)C(C)C4=NC(=NO4)C

DOS

IR

Vibrations