Geometry & MOs

Info

ID:	83669
PubChem CID:	49859834
Reduced:	N3O5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	469.1849
ΔH_f, kcal/mol:	-156.0
Dipole, Da:	2.78
IP(EA), eV:	-8.27(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione;oxalic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=NC2=CC=CC=C2C(=N1)OC.C(=O)(C(=O)O)O

DOS

IR

Vibrations