Geometry & MOs

Info

ID:	369455
PubChem CID:	127333433
Reduced:	SO3N5C17H33 (1)
Stoich.:	AB3C5D17E33 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	-144.48
Dipole, Da:	4.52
IP(EA), eV:	-8.75(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3CCCCC3

DOS

IR

Vibrations