Geometry & MOs

Info

ID:	143864
PubChem CID:	53272118
Reduced:	FSCl2N2H13C17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	302.145285
ΔH_f, kcal/mol:	17.22
Dipole, Da:	3.54
IP(EA), eV:	-9.5(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C2=CN=C(S2)CNCC3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations