Geometry & MOs

Info

ID:	209683
PubChem CID:	80703332
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	322.090662
ΔH_f, kcal/mol:	-58.96
Dipole, Da:	6.69
IP(EA), eV:	-9.26(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C#N)N2CCC(CC2)(C)O

DOS

IR

Vibrations