Geometry & MOs

Info

ID:	153705
PubChem CID:	56313004
Reduced:	FOSN2C21H25 (1)
Stoich.:	ABCD2E21F25 (1)
Weight, g/mol:	434.10052
ΔH_f, kcal/mol:	-45.89
Dipole, Da:	3.25
IP(EA), eV:	-8.67(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations