Geometry & MOs

Info

ID:	359591
PubChem CID:	127298865
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	357.143704
ΔH_f, kcal/mol:	47.48
Dipole, Da:	4.98
IP(EA), eV:	-8.8(-1.32)
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-oxopiperidin-3-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC3=C2N=CC=C3)C(=O)N4CC5CC6CC(C5)CC4C6

DOS

IR

Vibrations