Geometry & MOs

Info

ID:	308466
PubChem CID:	125333178
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	288.097088
ΔH_f, kcal/mol:	12.14
Dipole, Da:	1.28
IP(EA), eV:	-8.85(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-benzylideneamino]-2-[[(6R)-3,5-dioxo-6H-1,2,4-triazin-6-yl]amino]acetamide

Drug info:

PubChemData

Smile

CCNCC1=CC(=CC=C1)NC(=O)C2=NC=C(C2)Cl

DOS

IR

Vibrations