Geometry & MOs

Info

ID:	263464
PubChem CID:	103370220
Reduced:	BrON3F4C11H12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	298.104146
ΔH_f, kcal/mol:	-194.32
Dipole, Da:	3.97
IP(EA), eV:	-8.9(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-N'-hydroxy-2-[(2-phenylimidazol-1-yl)methyl]propanimidamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NCC(/C(=N/O)/N)C(F)(F)F)F)Br

DOS

IR

Vibrations