Geometry & MOs

Info

ID:	295021
PubChem CID:	117511919
Reduced:	NO4C19H25 (1)
Stoich.:	AB4C19D25 (1)
Weight, g/mol:	331.107599
ΔH_f, kcal/mol:	-182.18
Dipole, Da:	6.12
IP(EA), eV:	-8.71(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluoro-4-methylsulfanyl-5-methylsulfonylphenyl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC2=C1C=CC(=C2)C3(CCC3)C(=O)O

DOS

IR

Vibrations