Geometry & MOs

Info

ID:	56445
PubChem CID:	17425476
Reduced:	ClFON2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	318.057134
ΔH_f, kcal/mol:	-33.07
Dipole, Da:	2.22
IP(EA), eV:	-9.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2-methoxyphenyl)methyl]-7-fluoroquinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=CC(=C3)F)Cl

DOS

IR

Vibrations