Geometry & MOs

Info

ID:	417208
PubChem CID:	135091700
Reduced:	ClN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	389.186318
ΔH_f, kcal/mol:	-54.38
Dipole, Da:	4.58
IP(EA), eV:	-9.48(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

Drug info:

PubChemData

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C1[C@H]([C@@H](CN1C(=O)C2=CC=C(O2)Cl)O)CC3=NC=CN=C3

DOS

IR

Vibrations