Geometry & MOs

Info

ID:	153606
PubChem CID:	56312871
Reduced:	FON3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	358.18567
ΔH_f, kcal/mol:	-31.48
Dipole, Da:	2.85
IP(EA), eV:	-8.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=C(N2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations