Geometry & MOs

Info

ID:	164703
PubChem CID:	74441383
Reduced:	NSO2C6H11 (1)
Stoich.:	ABC2D6E11 (1)
Weight, g/mol:	396.172345
ΔH_f, kcal/mol:	-85.47
Dipole, Da:	9.29
IP(EA), eV:	-9.77(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[2-[4-(4-fluorobenzoyl)piperidin-1-ium-1-yl]ethyl]-4aH-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CCC1[NH2+]C(CS1)C(=O)[O-]

DOS

IR

Vibrations