Geometry & MOs

Info

ID:	27778
PubChem CID:	823513
Reduced:	OCl2N2H12C16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	252.089878
ΔH_f, kcal/mol:	2.71
Dipole, Da:	2.67
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations