Geometry & MOs

Info

ID:	156470
PubChem CID:	56370742
Reduced:	SN3O3H13C18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	420.262422
ΔH_f, kcal/mol:	-1.78
Dipole, Da:	8.93
IP(EA), eV:	-9.02(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-hydroxy-3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propoxy]benzoate

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations