Geometry & MOs

Info

ID:	197473
PubChem CID:	78968531
Reduced:	ClON2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	302.064447
ΔH_f, kcal/mol:	23.58
Dipole, Da:	1.77
IP(EA), eV:	-8.66(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylsulfanylaniline

Drug info:

PubChemData

Smile

C1=COC(=C1)CNCC2=CNC3=C2C=CC(=C3)Cl

DOS

IR

Vibrations