Geometry & MOs

Info

ID:	64829
PubChem CID:	29204057
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	-128.52
Dipole, Da:	5.64
IP(EA), eV:	-8.6(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1-phenylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3)C

DOS

IR

Vibrations