Geometry & MOs

Info

ID:	194606
PubChem CID:	78560794
Reduced:	ClFNO3H17C19 (1)
Stoich.:	ABCD3E17F19 (1)
Weight, g/mol:	356.117235
ΔH_f, kcal/mol:	-135.55
Dipole, Da:	5.84
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-oxo-4aH-quinazolin-2-yl)ethyl 2-(4-fluorophenoxy)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC(=O)OC(C)C(=O)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations