Geometry & MOs

Info

ID:	413475
PubChem CID:	135086424
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	251.079608
ΔH_f, kcal/mol:	-17.04
Dipole, Da:	7.65
IP(EA), eV:	-8.28(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-6-(trifluoromethyl)-9H-pyrido[2,3-b]indol-1-ium

Drug info:

PubChemData

Smile

CCOC(N1C2=CC=CC=C2C(=C1/N=C(\C)/N(C)C)C#N)OCC

DOS

IR

Vibrations