Geometry & MOs

Info

ID:	143799
PubChem CID:	53265550
Reduced:	SN6H14C16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	486.237939
ΔH_f, kcal/mol:	153.97
Dipole, Da:	4.94
IP(EA), eV:	-8.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[(5-hexyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)/C=N/NC2=NC3=C(C4=CC=CC=C4N3C)N=N2

DOS

IR

Vibrations