Geometry & MOs

Info

ID:	357401
PubChem CID:	127294034
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-111.69
Dipole, Da:	2.84
IP(EA), eV:	-8.55(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations