Geometry & MOs

Info

ID:	154201
PubChem CID:	56313606
Reduced:	N2F3O6C22H25 (1)
Stoich.:	A2B3C6D22E25 (1)
Weight, g/mol:	394.258006
ΔH_f, kcal/mol:	-358.56
Dipole, Da:	2.44
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]propyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=CC(=C(C=C2)OCC(=O)N)OC)OCC(F)(F)F

DOS

IR

Vibrations