Geometry & MOs

Info

ID:	147533
PubChem CID:	53787189
Reduced:	NCl2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	-51.98
Dipole, Da:	3.76
IP(EA), eV:	-9.13(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-1,3-dione

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1Cl)C2=CC=CN2)Cl

DOS

IR

Vibrations