Geometry & MOs

Info

ID:	372283
PubChem CID:	131295479
Reduced:	INO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	282.98196
ΔH_f, kcal/mol:	-43.46
Dipole, Da:	2.53
IP(EA), eV:	-8.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[4-bromo-3-(trifluoromethyl)phenyl]ethanol

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=CC(=C1)OC)I)N

DOS

IR

Vibrations