Geometry & MOs

Info

ID:	285211
PubChem CID:	104098672
Reduced:	BrNSO2C10H16 (1)
Stoich.:	ABCD2E10F16 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	3.63
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(3-methylfuran-2-yl)methylamino]propane-1,3-diol

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)CNC(C)(CO)CO)Br

DOS

IR

Vibrations