Geometry & MOs

Info

ID:	363026
PubChem CID:	127310051
Reduced:	O2N3C8H11 (2)
Stoich.:	A2B3C8D11 (2)
Weight, g/mol:	349.157246
ΔH_f, kcal/mol:	-101.52
Dipole, Da:	6.61
IP(EA), eV:	-9.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=CN(C(=O)NC3=O)C

DOS

IR

Vibrations