Geometry & MOs

Info

ID:	269952
PubChem CID:	103621168
Reduced:	F2N2O3C13H14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	206.085541
ΔH_f, kcal/mol:	-196.11
Dipole, Da:	3.1
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2-propan-2-yl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=O)C2=CC(=C(C=C2N1)OC(F)F)OC

DOS

IR

Vibrations