Geometry & MOs

Info

ID:	369460
PubChem CID:	127333442
Reduced:	SN3O3C17H31 (1)
Stoich.:	AB3C3D17E31 (1)
Weight, g/mol:	333.252861
ΔH_f, kcal/mol:	-141.49
Dipole, Da:	9.36
IP(EA), eV:	-8.61(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-propan-2-ylpyrazol-3-yl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1CCS(=O)(=O)C1)N2CCCC(C2)N3CCCC3

DOS

IR

Vibrations