Geometry & MOs

Info

ID:	128458
PubChem CID:	51045067
Reduced:	O2S2N4C15H18 (1)
Stoich.:	A2B2C4D15E18 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-28.63
Dipole, Da:	2.13
IP(EA), eV:	-9.31(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethoxyphenyl)-1,8,8-trimethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N(C2CCCC2)C(=O)C)C(=O)NC3=NC=CS3

DOS

IR

Vibrations