Geometry & MOs

Info

ID:	246197
PubChem CID:	103048545
Reduced:	ClNF3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	311.181606
ΔH_f, kcal/mol:	-108.5
Dipole, Da:	2.99
IP(EA), eV:	-9.34(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CNC(CC1=C(C=CC(=C1)Cl)F)C2=CC(=CC(=C2)F)F

DOS

IR

Vibrations