Geometry & MOs

Info

ID:	305623
PubChem CID:	124962895
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-2.73
Dipole, Da:	8.9
IP(EA), eV:	-8.63(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxy-5-methylphenyl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C=CC2=C1C(=NC=C2)CC3CN(C3)C(=O)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations