Geometry & MOs

Info

ID:	372161
PubChem CID:	131293945
Reduced:	BrF2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-170.4
Dipole, Da:	3.66
IP(EA), eV:	-8.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-amino-1,2-dimethylimidazol-4-yl)oxyphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC(F)F)Br)OC

DOS

IR

Vibrations