Geometry & MOs

Info

ID:	343100
PubChem CID:	127266273
Reduced:	BrON2F3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-162.8
Dipole, Da:	6.67
IP(EA), eV:	-8.17(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]propyl]-5-methyl-1,3,4-oxadiazol-2-one

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)N)CC2=C(C=C(C(=C2F)F)F)Br

DOS

IR

Vibrations