Geometry & MOs

Info

ID:	359580
PubChem CID:	127298854
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-93.28
Dipole, Da:	5.42
IP(EA), eV:	-9.02(-0.76)
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-3-yl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)N(C)CC4CCCCO4

DOS

IR

Vibrations