Geometry & MOs

Info

ID:	64873
PubChem CID:	29204132
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-1.33
Dipole, Da:	6.08
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)C2=CC=C(C=C2)N3C(=CC=N3)C)C

DOS

IR

Vibrations