Geometry & MOs

Info

ID:	283224
PubChem CID:	103965754
Reduced:	FNC19H30 (1)
Stoich.:	ABC19D30 (1)
Weight, g/mol:	243.165686
ΔH_f, kcal/mol:	-77.06
Dipole, Da:	3.01
IP(EA), eV:	-8.79(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[(5-methylthiolan-3-yl)amino]methyl]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)F)NC2CC(CC(C2)(C)C)(C)C

DOS

IR

Vibrations