Geometry & MOs

Info

ID:	173527
PubChem CID:	75649148
Reduced:	BrClON2H10C16 (1)
Stoich.:	ABCD2E10F16 (1)
Weight, g/mol:	366.10093
ΔH_f, kcal/mol:	42.69
Dipole, Da:	7.19
IP(EA), eV:	-9.47(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[1-chloro-2-(4-morpholin-4-ylphenyl)ethenyl]quinazolin-4-olate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=CC3=CC(=CC=C3)Br)Cl

DOS

IR

Vibrations