Geometry & MOs

Info

ID:	271875
PubChem CID:	103695334
Reduced:	BrClNO2H7C8 (1)
Stoich.:	ABCD2E7F8 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-75.51
Dipole, Da:	1.45
IP(EA), eV:	-9.1(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethylsulfanylpropyl)quinazolin-4-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(C=C1)Cl)Br)N

DOS

IR

Vibrations