Geometry & MOs

Info

ID:	198561
PubChem CID:	79119089
Reduced:	NC17H27 (1)
Stoich.:	AB17C27 (1)
Weight, g/mol:	249.189278
ΔH_f, kcal/mol:	-18.63
Dipole, Da:	1.2
IP(EA), eV:	-8.76(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CCCCCN1)C2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations