Geometry & MOs

Info

ID:	349435
PubChem CID:	127275222
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	9.62
IP(EA), eV:	-9.01(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-3-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=NS(=O)(=O)C3=CC=CC=C3N2)C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations