Geometry & MOs

Info

ID:	167232
PubChem CID:	74796315
Reduced:	O4N5C23H37 (1)
Stoich.:	A4B5C23D37 (1)
Weight, g/mol:	383.159354
ΔH_f, kcal/mol:	-143.35
Dipole, Da:	6.58
IP(EA), eV:	-8.6(-0.24)
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-(pyridin-3-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)C2NC(=O)C(NN2)CCC(=O)N3CCN(CC3)CCOC

DOS

IR

Vibrations