Geometry & MOs

Info

ID:	64876
PubChem CID:	29204140
Reduced:	SN2O4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-127.99
Dipole, Da:	5.96
IP(EA), eV:	-9.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-benzyl-3-(2-methoxyphenyl)pyrazol-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=CC(=CC=C2)S(=O)(=O)N(C)OC)C

DOS

IR

Vibrations