Geometry & MOs

Info

ID:	182143
PubChem CID:	76852675
Reduced:	ClON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	423.158292
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	3.49
IP(EA), eV:	-8.71(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-[[4-[(1E,4E)-3-oxo-5-pyridin-2-ylpenta-1,4-dienyl]phenoxy]methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C2=CCN(CC2)CCCN.Cl

DOS

IR

Vibrations