Geometry & MOs

Info

ID:	397167
PubChem CID:	135029827
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	291.125929
ΔH_f, kcal/mol:	18.18
Dipole, Da:	3.58
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-1,4-dioxan-2-yl]-2-phenylquinoline

Drug info:

PubChemData

Smile

CCO[C@@H](C)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations