Geometry & MOs

Info

ID:	330268
PubChem CID:	127247255
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	7.44
Dipole, Da:	6.2
IP(EA), eV:	-9.42(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)C(=O)N2CCCCC2C3=CC=NN3

DOS

IR

Vibrations