Geometry & MOs

Info

ID:	154019
PubChem CID:	56313379
Reduced:	BrFON5C22H23 (1)
Stoich.:	ABCD5E22F23 (1)
Weight, g/mol:	440.202382
ΔH_f, kcal/mol:	20.72
Dipole, Da:	3.07
IP(EA), eV:	-8.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations