Geometry & MOs

Info

ID:	364877
PubChem CID:	127316349
Reduced:	O2S2N3C19H29 (1)
Stoich.:	A2B2C3D19E29 (1)
Weight, g/mol:	360.187149
ΔH_f, kcal/mol:	-93.63
Dipole, Da:	1.76
IP(EA), eV:	-8.58(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]bicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations