Geometry & MOs

Info

ID:	154513
PubChem CID:	56313969
Reduced:	F3N4O5C23H23 (1)
Stoich.:	A3B4C5D23E23 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-273.67
Dipole, Da:	3.97
IP(EA), eV:	-8.82(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC

DOS

IR

Vibrations