Geometry & MOs

Info

ID:	5250
PubChem CID:	12833
Reduced:	ClN2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	208.076726
ΔH_f, kcal/mol:	15.59
Dipole, Da:	3.55
IP(EA), eV:	-8.57(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-1H-indol-3-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC(CC1=CNC2=C1C=C(C=C2)Cl)N

DOS

IR

Vibrations