Geometry & MOs

Info

ID:	154118
PubChem CID:	56313507
Reduced:	N2O2F3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	440.202382
ΔH_f, kcal/mol:	-175.73
Dipole, Da:	4.43
IP(EA), eV:	-9.0(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2F)OC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations