Geometry & MOs

Info

ID:	363453
PubChem CID:	127311256
Reduced:	ON5C10H17 (1)
Stoich.:	AB5C10D17 (1)
Weight, g/mol:	345.071802
ΔH_f, kcal/mol:	0.34
Dipole, Da:	6.65
IP(EA), eV:	-9.55(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCCC(C1)N2C=NC=N2

DOS

IR

Vibrations