Geometry & MOs

Info

ID:	359570
PubChem CID:	127298844
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-48.99
Dipole, Da:	5.26
IP(EA), eV:	-8.46(-0.79)
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-(2-methylpiperidin-1-yl)ethyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NCCN4CCCCC4

DOS

IR

Vibrations