Geometry & MOs

Info

ID:	417788
PubChem CID:	135102767
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	370.125275
ΔH_f, kcal/mol:	8.8
Dipole, Da:	5.24
IP(EA), eV:	-9.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CN2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations