Geometry & MOs

Info

ID:	365245
PubChem CID:	127317590
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	19.05
Dipole, Da:	5.81
IP(EA), eV:	-8.47(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(C)C(=O)N3CCSC4=CC=CC=C43

DOS

IR

Vibrations