Geometry & MOs

Info

ID:	339762
PubChem CID:	127261766
Reduced:	ClNC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	249.126598
ΔH_f, kcal/mol:	24.04
Dipole, Da:	1.35
IP(EA), eV:	-8.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,12bS)-1,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-1-carbonitrile

Drug info:

PubChemData

Smile

C1/C(=C/C2=C(C=CC=C2Cl)Cl)/NCN1

DOS

IR

Vibrations