Geometry & MOs

Info

ID:	372617
PubChem CID:	131300928
Reduced:	ON2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	261.00006
ΔH_f, kcal/mol:	-52.17
Dipole, Da:	4.98
IP(EA), eV:	-8.42(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(5-bromo-2-hydroxyphenyl)propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1)C)C(C)N)CO

DOS

IR

Vibrations