Geometry & MOs

Info

ID:	130229
PubChem CID:	51075324
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-44.25
Dipole, Da:	6.81
IP(EA), eV:	-9.47(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CNC(=O)C2CC(=O)N(C2)C(C)C3=CC=CC=C3

DOS

IR

Vibrations