Geometry & MOs

Info

ID:	167234
PubChem CID:	74796650
Reduced:	N4O5C18H24 (1)
Stoich.:	A4B5C18D24 (1)
Weight, g/mol:	402.136176
ΔH_f, kcal/mol:	-160.99
Dipole, Da:	2.64
IP(EA), eV:	-8.81(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-benzodioxol-5-yl)-5-oxo-1,2,4-triazinan-6-yl]-N-(2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)CCC2C(=O)NC(NN2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations