Geometry & MOs

Info

ID:	26893
PubChem CID:	803750
Reduced:	FNOS2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	344.01604
ΔH_f, kcal/mol:	-14.39
Dipole, Da:	3.66
IP(EA), eV:	-9.19(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-bromophenoxy)ethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CSC1=NC(=CC2=CC(=CC=C2)F)C(=O)S1

DOS

IR

Vibrations