Geometry & MOs

Info

ID:	290743
PubChem CID:	109918761
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	345.09396
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	4.54
IP(EA), eV:	-8.93(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]methyl]-6-methoxyphenol

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OC(=C2)C(=O)NC(CC3=CC=CC=C3)CO

DOS

IR

Vibrations