Geometry & MOs

Info

ID:	64826
PubChem CID:	29204052
Reduced:	ClON3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	345.16079
ΔH_f, kcal/mol:	-12.89
Dipole, Da:	5.18
IP(EA), eV:	-9.1(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl)C

DOS

IR

Vibrations