Geometry & MOs

Info

ID:	329044
PubChem CID:	126730760
Reduced:	O4F22H26C59 (1)
Stoich.:	A4B22C26D59 (1)
Weight, g/mol:	270.185789
ΔH_f, kcal/mol:	-928.8
Dipole, Da:	3.37
IP(EA), eV:	-9.02(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[[5-methyl-2-(4-methylphenoxy)phenyl]methyl]azanium

Drug info:

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)OC3=C(C(=C(C(=C3F)F)C4=C(C(=C(C(=C4F)F)OC5=CC=C(C=C5)C(C6=CC=C(C=C6)OC7=C(C(=C(C(=C7F)F)C8=C(C(=C(C(=C8F)F)OC9=CC=C(C=C9)C)F)F)F)F)(C(F)(F)F)C(F)(F)F)F)F)F)F

DOS

IR

Vibrations