Geometry & MOs

Info

ID:	308501
PubChem CID:	125333272
Reduced:	O2N6C15H18 (1)
Stoich.:	A2B6C15D18 (1)
Weight, g/mol:	333.107319
ΔH_f, kcal/mol:	19.79
Dipole, Da:	2.75
IP(EA), eV:	-8.66(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6S)-3,5-dioxo-6H-1,2,4-triazin-6-yl]-N'-[(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]propanehydrazide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2[C@@H](N1)C(=O)NC3=NNC(=N3)[C@@H]4CCCO4

DOS

IR

Vibrations