Geometry & MOs

Info

ID:	228356
PubChem CID:	87564072
Reduced:	SN3O6C9H17 (1)
Stoich.:	AB3C6D9E17 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-244.75
Dipole, Da:	3.9
IP(EA), eV:	-9.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-propoxyphenoxy)quinazolin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1=CN=C(N1)C(CNC(CO)(CO)CO)S(=O)(=O)O

DOS

IR

Vibrations