Geometry & MOs

Info

ID:	272043
PubChem CID:	103720640
Reduced:	BrSN2O2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	331.07831
ΔH_f, kcal/mol:	-27.41
Dipole, Da:	1.98
IP(EA), eV:	-8.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-6-methoxyphenol

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CNCC2=CC(=C(C(=C2)Br)O)OC

DOS

IR

Vibrations