Geometry & MOs

Info

ID:	192233
PubChem CID:	78248178
Reduced:	FO2N4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	345.172679
ΔH_f, kcal/mol:	-46.38
Dipole, Da:	15.2
IP(EA), eV:	-6.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2C(=NC=[N+](C2=O)CCC[NH+]3CCOCC3)C4=C1C=CC(=C4)F

DOS

IR

Vibrations