Geometry & MOs

Info

ID:	154516
PubChem CID:	56313973
Reduced:	FO2N3H22C27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	401.152161
ΔH_f, kcal/mol:	8.5
Dipole, Da:	5.77
IP(EA), eV:	-8.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CNC3=CC=CC=C32)C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations