Geometry & MOs

Info

ID:	270600
PubChem CID:	103637245
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	325.00803
ΔH_f, kcal/mol:	-3.27
Dipole, Da:	2.66
IP(EA), eV:	-8.12(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-6-methoxyphenol;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCC1NCC2=CC=CC=C2O)C3=CC=CC=C3

DOS

IR

Vibrations