Geometry & MOs

Info

ID:	187302
PubChem CID:	77556641
Reduced:	FON3C7H10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	434.184172
ΔH_f, kcal/mol:	-62.81
Dipole, Da:	2.04
IP(EA), eV:	-9.96(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]acetyl]pyrrolidin-2-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

C1C(CN(C1C#N)C(=O)CN)F

DOS

IR

Vibrations