Geometry & MOs

Info

ID:	136184
PubChem CID:	51993267
Reduced:	ClFNOC24H28 (1)
Stoich.:	ABCDE24F28 (1)
Weight, g/mol:	355.238553
ΔH_f, kcal/mol:	-60.85
Dipole, Da:	6.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.944088
Charge, e:	1

Chem-info

IUPAC name:

hexyl-[[3-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC(=CC=C4)OCC5=C(C=C(C=C5)F)Cl

DOS

IR

Vibrations