Geometry & MOs

Info

ID:	365250
PubChem CID:	127317595
Reduced:	OS2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	27.69
Dipole, Da:	2.66
IP(EA), eV:	-8.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-hydroxynaphthalen-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations