Geometry & MOs

Info

ID:	227230
PubChem CID:	87560728
Reduced:	SN3O3H11C13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	416.246378
ΔH_f, kcal/mol:	-29.16
Dipole, Da:	7.63
IP(EA), eV:	-9.61(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(8-methoxyquinolin-4-yl)ethyl]-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)O)C2=CC=NN3C2=NC=C3

DOS

IR

Vibrations