Geometry & MOs

Info

ID:	240819
PubChem CID:	93617678
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	278.070069
ΔH_f, kcal/mol:	-42.2
Dipole, Da:	4.2
IP(EA), eV:	-9.7(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1CN(CCO1)C(=O)C2=CC(=NC3=C2C(=NO3)C(C)C)C4CC4

DOS

IR

Vibrations