Geometry & MOs

Info

ID:	21983
PubChem CID:	594515
Reduced:	Cl2N3O3H15C18 (1)
Stoich.:	A2B3C3D15E18 (1)
Weight, g/mol:	391.049047
ΔH_f, kcal/mol:	-90.07
Dipole, Da:	11.76
IP(EA), eV:	-8.88(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(2,6-dichlorophenyl)methyl]pyridin-4-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CN1C(=O)C(=C2C=CN(C=C2)CC3=C(C=CC=C3Cl)Cl)C(=O)N(C1=O)C

DOS

IR

Vibrations