Geometry & MOs

Info

ID:	155088
PubChem CID:	56320673
Reduced:	ISN3O3C16H18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	397.143568
ΔH_f, kcal/mol:	-32.37
Dipole, Da:	5.0
IP(EA), eV:	-8.82(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-propylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC=CS3)I)OC

DOS

IR

Vibrations