Geometry & MOs

Info

ID:	198551
PubChem CID:	79118754
Reduced:	FNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	327.09979
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	4.08
IP(EA), eV:	-8.69(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-4-fluorophenyl)methyl]-2-propylazepane

Drug info:

PubChemData

Smile

CCCC1(CCCCCN1)C2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations