Geometry & MOs

Info

ID:	205306
PubChem CID:	80084208
Reduced:	BrClNO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	381.92753
ΔH_f, kcal/mol:	-76.8
Dipole, Da:	6.98
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-chlorophenyl)-2-(chloromethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCOC(C1)C(=O)NC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations