Geometry & MOs

Info

ID:	11987
PubChem CID:	125570
Reduced:	ClNC14H18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	235.112777
ΔH_f, kcal/mol:	136.44
Dipole, Da:	1.53
IP(EA), eV:	-8.32(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1,3,5(14)-triene

Drug info:

PubChemData

Smile

CN1CCC2=C(C=CC3=C2C(C1)CCC3)Cl

DOS

IR

Vibrations