Geometry & MOs

Info

ID:	72593
PubChem CID:	48416340
Reduced:	ClN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-153.26
Dipole, Da:	7.92
IP(EA), eV:	-9.12(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]butyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC2=CC3=C(C(=C2)Cl)OCCO3)N4CCNC4=O

DOS

IR

Vibrations