Geometry & MOs

Info

ID:	373311
PubChem CID:	131313103
Reduced:	BrFNO3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	291.00255
ΔH_f, kcal/mol:	-63.85
Dipole, Da:	7.57
IP(EA), eV:	-10.54(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-amino-3-methylbutyl)-6-bromo-3-chlorophenol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[N+](=O)[O-])C(=O)CBr)F

DOS

IR

Vibrations