Geometry & MOs

Info

ID:	306015
PubChem CID:	125000256
Reduced:	ON5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-2.21
Dipole, Da:	5.01
IP(EA), eV:	-8.51(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)C(=O)N2CCC[C@@H](C2)C3=CC(=NC=C3)N(C)C

DOS

IR

Vibrations