Geometry & MOs

Info

ID:	54744
PubChem CID:	17389191
Reduced:	ClNOSC16H26 (1)
Stoich.:	ABCDE16F26 (1)
Weight, g/mol:	386.01452
ΔH_f, kcal/mol:	-114.0
Dipole, Da:	6.8
IP(EA), eV:	-9.26(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-bromo-2-oxoindol-3-yl)piperidine-4-carbohydrazide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)N=C1OC2(CS1)C3CC4CC(C3)CC2C4.Cl

DOS

IR

Vibrations