Geometry & MOs

Info

ID:	359574
PubChem CID:	127298848
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-74.24
Dipole, Da:	5.23
IP(EA), eV:	-8.72(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)NCCC(=O)N2CCCSCC2

DOS

IR

Vibrations