Geometry & MOs

Info

ID:	21647
PubChem CID:	589404
Reduced:	ClO2N3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	301.061804
ΔH_f, kcal/mol:	-0.24
Dipole, Da:	1.58
IP(EA), eV:	-9.32(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[(3-chlorophenoxy)methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC3=CC(=CC=C3)Cl)N

DOS

IR

Vibrations