Geometry & MOs

Info

ID:	407530
PubChem CID:	135080277
Reduced:	SN2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	214.05647
ΔH_f, kcal/mol:	43.68
Dipole, Da:	1.51
IP(EA), eV:	-8.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2H-pyrido[4,3-b]indole-1-thione

Drug info:

PubChemData

Smile

CCCCSC1=NC2=C(C=C1)C3=CC=CC=C3N2

DOS

IR

Vibrations