Geometry & MOs

Info

ID:	127153
PubChem CID:	50993118
Reduced:	OB4F6N9H63C85 (1)
Stoich.:	AB4C6D9E63F85 (1)
Weight, g/mol:	570.16316
ΔH_f, kcal/mol:	-339.56
Dipole, Da:	1.27
IP(EA), eV:	-8.25(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]-phenylstannane;bromide

Drug info:

Smile

B1(N2C3=C(C4=NC(=C(C5=CC=C(N51)C(=C2C=C3)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=C9C=CC(=[N+]9[B-](N1C8=CC=C1C)(F)F)C)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=C2C=CC(=[N+]2[B-](N2C1=CC=C2C)(F)F)C)C=C4)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=C2C=CC(=[N+]2[B-](N2C1=CC=C2C)(F)F)C)OC

DOS

IR

Vibrations