Geometry & MOs

Info

ID:	46005
PubChem CID:	10520354
Reduced:	NC11H18 (2)
Stoich.:	AB11C18 (2)
Weight, g/mol:	328.007326
ΔH_f, kcal/mol:	1.1
Dipole, Da:	0.92
IP(EA), eV:	-9.48(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-hydroxy-3-(3-isothiocyanatophenyl)-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1(C)C)C[C@H]2N=CC=N[C@H]3C[C@H]4CC[C@@]3(C4(C)C)C

DOS

IR

Vibrations