Geometry & MOs

Info

ID:	221186
PubChem CID:	85257180
Reduced:	O3Cl4C8H8 (1)
Stoich.:	A3B4C8D8 (1)
Weight, g/mol:	214.159575
ΔH_f, kcal/mol:	-143.3
Dipole, Da:	1.57
IP(EA), eV:	-10.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-ethyl-3-methyl-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),4,6,8-tetraene

Drug info:

PubChemData

Smile

CC1C(=O)C2(C(O1)(C(C2(Cl)Cl)(Cl)Cl)C)O

DOS

IR

Vibrations