Geometry & MOs

Info

ID:	191931
PubChem CID:	78203802
Reduced:	OSN3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	289.117489
ΔH_f, kcal/mol:	16.36
Dipole, Da:	4.34
IP(EA), eV:	-9.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzylideneamino)-3-(3,5-dioxo-1,2,4-triazinan-6-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2C(C(=O)NC(=S)N2)C#N

DOS

IR

Vibrations