Geometry & MOs

Info

ID:	328873
PubChem CID:	126728467
Reduced:	SO2F3N5H28C29 (1)
Stoich.:	AB2C3D5E28F29 (1)
Weight, g/mol:	257.157978
ΔH_f, kcal/mol:	-150.03
Dipole, Da:	4.5
IP(EA), eV:	-9.08(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoronaphthalen-2-yl)methyl]cyclohexanamine

Drug info:

PubChemData

Smile

C1CC(CCC1NCC2=CC=CC=C2C3=CC=C(CC=C3)C(F)(F)F)NC4=NC=CC(=N4)/C=C\5/C(=O)NC(=O)S5

DOS

IR

Vibrations