Geometry & MOs

Info

ID:	126671
PubChem CID:	50973041
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-151.93
Dipole, Da:	6.88
IP(EA), eV:	-9.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-methyl-5-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN3C(C2)C(=O)NCC3=O

DOS

IR

Vibrations