Geometry & MOs

Info

ID:	144172
PubChem CID:	53326695
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	479.265831
ΔH_f, kcal/mol:	29.01
Dipole, Da:	3.92
IP(EA), eV:	-9.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 2-[[2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-2-yl]methoxycarbonylamino]acetate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@@H]([C@H]1O)N3C=CN=N3

DOS

IR

Vibrations