Geometry & MOs

Info

ID:	64830
PubChem CID:	29204058
Reduced:	ON3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	-13.59
Dipole, Da:	3.26
IP(EA), eV:	-9.01(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1-phenylpyrazol-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)C3=CC=CC=C3)C)C

DOS

IR

Vibrations