Geometry & MOs

Info

ID:	418515
PubChem CID:	135105423
Reduced:	N5O5C30H47 (1)
Stoich.:	A5B5C30D47 (1)
Weight, g/mol:	334.144119
ΔH_f, kcal/mol:	-253.18
Dipole, Da:	5.43
IP(EA), eV:	-9.52(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)CCC(C)C)C(C)C

DOS

IR

Vibrations