Geometry & MOs

Info

ID:	144338
PubChem CID:	53351762
Reduced:	ClN2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	241.029929
ΔH_f, kcal/mol:	87.33
Dipole, Da:	0.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750027
Charge, e:	-1

Chem-info

IUPAC name:

6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)N.[Cl-]

DOS

IR

Vibrations