Geometry & MOs

Info

ID:	397166
PubChem CID:	135029826
Reduced:	SN3O3H15C16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	277.146664
ΔH_f, kcal/mol:	-25.8
Dipole, Da:	8.86
IP(EA), eV:	-8.87(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-1-ethoxyethyl]-2-phenylquinoline

Drug info:

PubChemData

Smile

CC1=CN2C=C/C(=N/S(=O)(=O)C3=CC=C(C=C3)OC)/N=C2C=C1

DOS

IR

Vibrations