Geometry & MOs

Info

ID:	134505
PubChem CID:	51708054
Reduced:	NO2H14C15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	407.08524
ΔH_f, kcal/mol:	-109.81
Dipole, Da:	1.34
IP(EA), eV:	-9.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(E)-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-4,6-dinitrophenolate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)[C@H]3C=C[C@H]4C5C3[C@@H](C2=O)C=C[C@@H]5C(=O)N(C4=O)C6=CC(=C(C=C6)C)C)C

DOS

IR

Vibrations