Geometry & MOs

Info

ID:	29719
PubChem CID:	836707
Reduced:	OSN2F3H11C16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	225.139174
ΔH_f, kcal/mol:	-138.33
Dipole, Da:	1.28
IP(EA), eV:	-8.76(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-ethyl-1,3-dimethyl-9H-pyrido[3,4-b]indol-2-ium

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations