Geometry & MOs

Info

ID:	168467
PubChem CID:	74973534
Reduced:	S8O49C81H144 (1)
Stoich.:	A8B49C81D144 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-2046.7
Dipole, Da:	4.62
IP(EA), eV:	-8.57(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dipropylamino)ethyl]-4aH-quinolin-2-one

Drug info:

Smile

C(COCCSCC1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O2)C(C9O)O)CSCCOCCO)CSCCOCCO)CSCCOCCO)CSCCOCCO)CSCCOCCO)CSCCOCCO)CSCCOCCO)O)O)C(=O)O

DOS

IR

Vibrations