Geometry & MOs

Info

ID:	330424
PubChem CID:	127247411
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	291.115381
ΔH_f, kcal/mol:	-88.15
Dipole, Da:	2.34
IP(EA), eV:	-9.51(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CN2C(=O)CNC2=O)C3=CC=NN3

DOS

IR

Vibrations