Geometry & MOs

Info

ID:	46414
PubChem CID:	10524303
Reduced:	FCl2N5H12C18 (1)
Stoich.:	AB2C5D12E18 (1)
Weight, g/mol:	387.05824
ΔH_f, kcal/mol:	63.04
Dipole, Da:	2.04
IP(EA), eV:	-8.93(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-methyl-1H-indole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN(C3=NC=NC(=C23)NN)C4=CC(=C(C=C4)F)Cl)Cl

DOS

IR

Vibrations