Geometry & MOs

Info

ID:	229848
PubChem CID:	87569357
Reduced:	BrClOH6C8 (1)
Stoich.:	ABCD6E8 (1)
Weight, g/mol:	511.168555
ΔH_f, kcal/mol:	-8.59
Dipole, Da:	1.53
IP(EA), eV:	-9.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,2-difluoroethoxy)-3-[(3,4-dimethoxyphenyl)methyl]-1-piperidin-3-ylquinazoline-2,4-dione;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C(\Cl)/Br)O

DOS

IR

Vibrations