Geometry & MOs

Info

ID:	153914
PubChem CID:	56313251
Reduced:	FON3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	385.18017
ΔH_f, kcal/mol:	-21.84
Dipole, Da:	3.49
IP(EA), eV:	-8.48(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations