Geometry & MOs

Info

ID:	330408
PubChem CID:	127247395
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	4.9
Dipole, Da:	2.28
IP(EA), eV:	-9.7(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylthiophen-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations