Geometry & MOs

Info

ID:	165816
PubChem CID:	74601262
Reduced:	ON2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	280.144987
ΔH_f, kcal/mol:	-7.11
Dipole, Da:	5.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.180686
Charge, e:	1

Chem-info

IUPAC name:

3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one

Drug info:

PubChemData

Smile

C[NH+](C)CC1CCC2=C(C1=O)C3=CC=CC=C3N2

DOS

IR

Vibrations