Geometry & MOs

Info

ID:	188094
PubChem CID:	77668171
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	331.099063
ΔH_f, kcal/mol:	-67.56
Dipole, Da:	3.91
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-oxo-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN(C2=CC=CC(=C2)C#N)C(=O)C3CCC(NC3=O)C

DOS

IR

Vibrations