Geometry & MOs

Info

ID:	374246
PubChem CID:	131325801
Reduced:	BrO3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	179.061614
ΔH_f, kcal/mol:	-110.56
Dipole, Da:	1.75
IP(EA), eV:	-9.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(methylsulfonylmethyl)oxetan-3-yl]methanamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)O)Br)CO

DOS

IR

Vibrations