Geometry & MOs

Info

ID:	189015
PubChem CID:	77803637
Reduced:	O3N4F5H23C25 (1)
Stoich.:	A3B4C5D23E25 (1)
Weight, g/mol:	408.176168
ΔH_f, kcal/mol:	-206.79
Dipole, Da:	6.84
IP(EA), eV:	-8.75(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[1-[2-(6-fluoro-1H-indol-3-yl)ethyl]piperidin-4-yl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=O)C3C(=N2)C=CC=C3F)CCC4=CNC5=C4C=CC(=C5)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations