Geometry & MOs

Info

ID:	403388
PubChem CID:	135059973
Reduced:	ClN2O2H13C19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	314.108899
ΔH_f, kcal/mol:	-7.33
Dipole, Da:	5.89
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,9-dimethyl-4-methylsulfanylpyrido[2,3-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C2C(=CN=C1C3=CC=C(C=C3)Cl)C4=CC=CC=C4N2

DOS

IR

Vibrations