Geometry & MOs

Info

ID:	83761
PubChem CID:	49861072
Reduced:	ClNO3C21H28 (1)
Stoich.:	ABC3D21E28 (1)
Weight, g/mol:	237.128427
ΔH_f, kcal/mol:	-137.13
Dipole, Da:	5.23
IP(EA), eV:	-8.68(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S)-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1,3,5(14)-triene;hydrochloride

Drug info:

PubChemData

Smile

COC1=C2C[C@@H]([C@H](CC2=C(C=C1)OC)O)NCCCC3=CC=CC=C3.Cl

DOS

IR

Vibrations