Geometry & MOs

Info

ID:	193389
PubChem CID:	78387204
Reduced:	OCl2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	0.95
Dipole, Da:	8.56
IP(EA), eV:	-9.37(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethyl-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-pyrimido[4,5-b]quinoline-2,4-dione

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC(=C(C#N)C(=O)C3=C(C=C(C=C3)Cl)Cl)N2

DOS

IR

Vibrations