Geometry & MOs

Info

ID:	165417
PubChem CID:	74547904
Reduced:	N2O3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	418.11301
ΔH_f, kcal/mol:	-100.37
Dipole, Da:	2.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.174075
Charge, e:	1

Chem-info

IUPAC name:

5'-bromo-1',5-diethyl-7-methylspiro[1-aza-3-azoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione

Drug info:

PubChemData

Smile

CCCC12C[NH+]3CC(C1=O)(CN(C2)C3C4=CC(=C(C=C4)OCC)OC)CCC

DOS

IR

Vibrations