Geometry & MOs

Info

ID:	359558
PubChem CID:	127298832
Reduced:	SO3N5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	8.12
IP(EA), eV:	-8.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-ethylpiperidin-4-yl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NC4=NC5=C(S4)CCCC5

DOS

IR

Vibrations