Geometry & MOs

Info

ID:	153510
PubChem CID:	56312745
Reduced:	ClFON4C24H26 (1)
Stoich.:	ABCD4E24F26 (1)
Weight, g/mol:	390.151034
ΔH_f, kcal/mol:	-15.16
Dipole, Da:	3.77
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations