Geometry & MOs

Info

ID:	11273
PubChem CID:	112828
Reduced:	OCl2N2H10C15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	304.017018
ΔH_f, kcal/mol:	61.01
Dipole, Da:	2.78
IP(EA), eV:	-9.26(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(chloromethyl)-3-oxido-4-phenylquinazolin-3-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=[N+](C(=NC3=C2C=C(C=C3)Cl)CCl)[O-]

DOS

IR

Vibrations