Geometry & MOs

Info

ID:	263456
PubChem CID:	103369659
Reduced:	O2F3N3C12H16 (1)
Stoich.:	A2B3C3D12E16 (1)
Weight, g/mol:	275.124547
ΔH_f, kcal/mol:	-181.98
Dipole, Da:	1.73
IP(EA), eV:	-8.83(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylphenyl)methylamino]methyl]propanimidamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNCC(/C(=N/O)/N)C(F)(F)F

DOS

IR

Vibrations