Geometry & MOs

Info

ID:	231460
PubChem CID:	87573784
Reduced:	OC2H2 (5)
Stoich.:	AB2C2 (5)
Weight, g/mol:	304.021497
ΔH_f, kcal/mol:	-200.64
Dipole, Da:	5.47
IP(EA), eV:	-11.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-5-fluoroquinazolin-2-yl)-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

C1C2CC(C1C3C2C(=O)OC3=O)C(=O)O

DOS

IR

Vibrations