Geometry & MOs

Info

ID:	306341
PubChem CID:	125003837
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-81.1
Dipole, Da:	4.46
IP(EA), eV:	-9.26(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC(=O)[C@@]1(CCCN1C(=O)C2(CCOCC2)CC3=CC=CC=C3)C4=CC=CC=N4

DOS

IR

Vibrations