Geometry & MOs

Info

ID:	192232
PubChem CID:	78248177
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	346.180504
ΔH_f, kcal/mol:	-89.3
Dipole, Da:	2.8
IP(EA), eV:	-8.69(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

8-fluoro-5-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-4aH-pyrimido[5,4-b]indol-3-ium-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N(CC2CCCO2)CC3C=C4C=CC=CC4=NC3=O

DOS

IR

Vibrations