Geometry & MOs

Info

ID:	416134
PubChem CID:	135089142
Reduced:	ClON5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	296.09277
ΔH_f, kcal/mol:	51.98
Dipole, Da:	7.37
IP(EA), eV:	-9.14(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2-[[2,3-dihydroxypropyl(methyl)amino]methyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5)Cl

DOS

IR

Vibrations