Geometry & MOs

Info

ID:	306188
PubChem CID:	125002280
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	10.35
Dipole, Da:	2.8
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H](C1)CC2=CN=C(C=N2)C3=NC=CN3

DOS

IR

Vibrations