Geometry & MOs

Info

ID:	227918
PubChem CID:	87563006
Reduced:	O5C18H24 (1)
Stoich.:	A5B18C24 (1)
Weight, g/mol:	229.067369
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	1.58
IP(EA), eV:	-8.92(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-dihydropyrido[3,4-b]indole-2-carbothioamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)OOC3(CCC(CC3)C4=CC=C(C=C4)O)OO2

DOS

IR

Vibrations