Geometry & MOs

Info

ID:	85776
PubChem CID:	49879013
Reduced:	SN3O4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	351.138305
ΔH_f, kcal/mol:	-122.45
Dipole, Da:	4.73
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-fluorobenzoyl)piperidin-4-yl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C=N3)CCC(=O)O

DOS

IR

Vibrations