Geometry & MOs

Info

ID:	293235
PubChem CID:	117378012
Reduced:	ClN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	249.103275
ΔH_f, kcal/mol:	34.64
Dipole, Da:	5.14
IP(EA), eV:	-9.04(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(piperazin-1-ylmethyl)-1H-indole

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)C(C)CN)Cl

DOS

IR

Vibrations