Geometry & MOs

Info

ID:	293483
PubChem CID:	117391542
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-97.39
Dipole, Da:	4.94
IP(EA), eV:	-9.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)S(=O)(=O)C)C2(CCC2)N

DOS

IR

Vibrations