Geometry & MOs

Info

ID:	54696
PubChem CID:	17389116
Reduced:	S3O6N10C14H14 (1)
Stoich.:	A3B6C10D14E14 (1)
Weight, g/mol:	269.077596
ΔH_f, kcal/mol:	119.03
Dipole, Da:	4.25
IP(EA), eV:	-8.58(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N'-[(Z)-(2-methylindol-3-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

CSC1=C(C(=C(S1)SC)/C=N/NC(=O)C2=[N+](ON=C2N)[O-])/C=N/NC(=O)C3=[N+](ON=C3N)[O-]

DOS

IR

Vibrations