Geometry & MOs

Info

ID:	280289
PubChem CID:	103848232
Reduced:	BrNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	214.077599
ΔH_f, kcal/mol:	-87.21
Dipole, Da:	6.01
IP(EA), eV:	-9.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3-thiazol-2-ylmethylamino)methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NCCCCCOC)Br

DOS

IR

Vibrations