Geometry & MOs

Info

ID:	8627
PubChem CID:	79679
Reduced:	ON2Cl3H5C9 (1)
Stoich.:	AB2C3D5E9 (1)
Weight, g/mol:	261.946746
ΔH_f, kcal/mol:	-6.83
Dipole, Da:	6.34
IP(EA), eV:	-9.65(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trichloromethyl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=C(N2)C(Cl)(Cl)Cl

DOS

IR

Vibrations