Geometry & MOs

Info

ID:	36323
PubChem CID:	8001637
Reduced:	N2F3O4H15C17 (1)
Stoich.:	A2B3C4D15E17 (1)
Weight, g/mol:	278.071459
ΔH_f, kcal/mol:	-277.55
Dipole, Da:	3.32
IP(EA), eV:	-8.54(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,5-dichloro-2-methoxyphenyl)methyl-(4-hydroxybutyl)azanium

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)CN3C=C(C=CC3=O)C(F)(F)F)OC1

DOS

IR

Vibrations