Geometry & MOs

Info

ID:	43031
PubChem CID:	10317927
Reduced:	NO5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-192.12
Dipole, Da:	2.85
IP(EA), eV:	-9.11(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,9-dimethoxy-10-octylpyrimido[4,5-b]quinoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC=CC=C12)C[C@@H]3[C@H]4[C@@H]([C@@H]5[C@H](O3)OC(O5)(C)C)OC(O4)(C)C

DOS

IR

Vibrations