Geometry & MOs

Info

ID:	294317
PubChem CID:	117452876
Reduced:	BrNOF3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	280.9863
ΔH_f, kcal/mol:	-140.78
Dipole, Da:	3.45
IP(EA), eV:	-9.61(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(5-bromo-2,4-difluoro-3-methoxyphenyl)ethanol

Drug info:

PubChemData

Smile

CNCC(=O)C1=C(C(=C(C=C1F)F)Br)F

DOS

IR

Vibrations