Geometry & MOs

Info

ID:	209820
PubChem CID:	80726654
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	313.117021
ΔH_f, kcal/mol:	-92.97
Dipole, Da:	0.92
IP(EA), eV:	-8.29(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylsulfonylphenyl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC2CCC(CC2)O)N

DOS

IR

Vibrations