Geometry & MOs

Info

ID:	21722
PubChem CID:	589642
Reduced:	ON2H6C8 (1)
Stoich.:	AB2C6D8 (1)
Weight, g/mol:	146.048013
ΔH_f, kcal/mol:	20.55
Dipole, Da:	7.01
IP(EA), eV:	-8.79(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-quinazolin-5-one

Drug info:

PubChemData

Smile

C1=CC(=O)C2=CN=CNC2=C1

DOS

IR

Vibrations