Geometry & MOs

Info

ID:	280885
PubChem CID:	103851765
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	287.091077
ΔH_f, kcal/mol:	-24.76
Dipole, Da:	3.89
IP(EA), eV:	-9.15(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-fluorophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)CC(CNCC1=CC=CC=C1C#N)O

DOS

IR

Vibrations