Geometry & MOs

Info

ID:	306236
PubChem CID:	125003152
Reduced:	ON6C17H18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	67.75
Dipole, Da:	5.43
IP(EA), eV:	-9.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylpyrazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)C2CCN(CC2)C(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations