Geometry & MOs

Info

ID:	145099
PubChem CID:	53460922
Reduced:	ION3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	445.176834
ΔH_f, kcal/mol:	-8.01
Dipole, Da:	4.1
IP(EA), eV:	-8.62(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-(1H-indole-3-carbonyloxy)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propyl-dimethylazanium;chloride

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2C(C(NN2)N)I)C(C)(C)C

DOS

IR

Vibrations