Geometry & MOs

Info

ID:	167233
PubChem CID:	74796649
Reduced:	O4N5C19H21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	376.17467
ΔH_f, kcal/mol:	-73.56
Dipole, Da:	3.4
IP(EA), eV:	-9.2(-0.68)
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-(oxolan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3NC(=O)C(NN3)CCC(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations