Geometry & MOs

Info

ID:	355451
PubChem CID:	127288514
Reduced:	OSN7C15H15 (1)
Stoich.:	ABC7D15E15 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	94.2
Dipole, Da:	7.49
IP(EA), eV:	-9.76(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CSC(=N2)C3=NC=CN=C3)N4C=NC=N4

DOS

IR

Vibrations