Geometry & MOs

Info

ID:	64833
PubChem CID:	29204061
Reduced:	ON3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-18.77
Dipole, Da:	6.02
IP(EA), eV:	-9.01(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-[(3S,5R)-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)C)C

DOS

IR

Vibrations