Geometry & MOs

Info

ID:	154824
PubChem CID:	56314361
Reduced:	FO2N4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	455.203191
ΔH_f, kcal/mol:	-17.35
Dipole, Da:	3.68
IP(EA), eV:	-8.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations