Geometry & MOs

Info

ID:	166247
PubChem CID:	74656425
Reduced:	ClN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	417.125547
ΔH_f, kcal/mol:	-72.46
Dipole, Da:	4.0
IP(EA), eV:	-9.54(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-chloro-4-oxo-4aH-quinazolin-2-yl)methyl]-3-(2-fluorophenoxy)-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=O)C2C=CC(=CC2=N1)Cl)C(=O)COCC

DOS

IR

Vibrations