Geometry & MOs

Info

ID:	359568
PubChem CID:	127298842
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	385.175004
ΔH_f, kcal/mol:	-25.12
Dipole, Da:	6.52
IP(EA), eV:	-8.87(-0.82)
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-oxo-2-piperidin-1-ylethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NCC4CCN(C4)C5CC5

DOS

IR

Vibrations