Geometry & MOs

Info

ID:	207840
PubChem CID:	80458901
Reduced:	BrNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	293.153955
ΔH_f, kcal/mol:	-42.76
Dipole, Da:	6.83
IP(EA), eV:	-9.96(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-6-methoxyphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol

Drug info:

PubChemData

Smile

CC(CC1=C(C=CC(=C1)OC)[N+](=O)[O-])Br

DOS

IR

Vibrations