Geometry & MOs

Info

ID:	83759
PubChem CID:	49861065
Reduced:	ClN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	267.138992
ΔH_f, kcal/mol:	-118.72
Dipole, Da:	0.94
IP(EA), eV:	-8.43(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-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=CNC4=CC=CC=C43.Cl

DOS

IR

Vibrations