Geometry & MOs

Info

ID:	448794
PubChem CID:	135293648
Reduced:	NH29C43 (1)
Stoich.:	AB29C43 (1)
Weight, g/mol:	272.241196
ΔH_f, kcal/mol:	238.46
Dipole, Da:	1.92
IP(EA), eV:	-8.35(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-ethyl-3,5-dimethyl-2-methylidenehexyl)-dimethyl-(3-sulfanylpropyl)azanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C4C(=CC=C3)C5=CC=CC=C5C46C7=CC=CC=C7N(C8=CC=CC=C68)C9=CC=CC=C9

DOS

IR

Vibrations