Geometry & MOs

Info

ID:	145828
PubChem CID:	53598949
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-92.96
Dipole, Da:	6.72
IP(EA), eV:	-9.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(ethoxymethyl)piperidin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)OCCCNC2=C(C=C(C=C2)S(=O)(=O)N)C#N

DOS

IR

Vibrations