Geometry & MOs

Info

ID:	130562
PubChem CID:	51091263
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	323.101839
ΔH_f, kcal/mol:	-96.45
Dipole, Da:	5.84
IP(EA), eV:	-9.04(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC(CC)C(=O)N1CCC(CC1)NC(=O)NCC2=CC=CC(=N2)C

DOS

IR

Vibrations