Geometry & MOs

Info

ID:	294083
PubChem CID:	117426856
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-112.81
Dipole, Da:	8.46
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methoxy-3-methylsulfonylphenyl)cyclopropyl]ethanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CCCCN2)S(=O)(=O)C

DOS

IR

Vibrations