Geometry & MOs

Info

ID:	344410
PubChem CID:	127267586
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	-133.43
Dipole, Da:	5.12
IP(EA), eV:	-8.79(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyloxypiperidin-1-yl)-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)N4CCC(CC4)OC5CCCC5)NC2=O

DOS

IR

Vibrations