Geometry & MOs

Info

ID:	392407
PubChem CID:	135015496
Reduced:	ON5C10H12 (2)
Stoich.:	AB5C10D12 (2)
Weight, g/mol:	332.14577
ΔH_f, kcal/mol:	82.44
Dipole, Da:	1.01
IP(EA), eV:	-9.08(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(2E)-2-[(3E)-3-[(5-methyl-4-oxo-1,3,5-triazin-2-yl)hydrazinylidene]butan-2-ylidene]hydrazinyl]-1,3,5-triazin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)/C=N/NC2=NC(=O)N(C=N2)C)/C=N/NC3=NC(=O)N(C=N3)C

DOS

IR

Vibrations