Geometry & MOs

Info

ID:	360434
PubChem CID:	127301079
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-117.91
Dipole, Da:	2.81
IP(EA), eV:	-9.06(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylthiophen-3-yl)-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)CCN3C(=O)C4CCCCC4C3=O

DOS

IR

Vibrations