Geometry & MOs

Info

ID:	359569
PubChem CID:	127298843
Reduced:	O4N5C19H23 (1)
Stoich.:	A4B5C19D23 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-90.54
Dipole, Da:	4.46
IP(EA), eV:	-9.07(-0.72)
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-(2-piperidin-1-ylethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NCC(=O)N4CCCCC4

DOS

IR

Vibrations