Geometry & MOs

Info

ID:	128398
PubChem CID:	51042873
Reduced:	N3O4H25C28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	237.049804
ΔH_f, kcal/mol:	-65.64
Dipole, Da:	5.2
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N'-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CO2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations