Geometry & MOs

Info

ID:	285213
PubChem CID:	104098674
Reduced:	NSO3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	352.9449
ΔH_f, kcal/mol:	-111.21
Dipole, Da:	3.65
IP(EA), eV:	-8.75(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dibromophenyl)methylamino]-2-methylpropane-1,3-diol

Drug info:

PubChemData

Smile

CC(CO)(CO)NCC1=CC=C(S1)OC

DOS

IR

Vibrations