Geometry & MOs

Info

ID:	388390
PubChem CID:	134989027
Reduced:	BrN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	-44.3
Dipole, Da:	4.79
IP(EA), eV:	-9.23(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8,9,10,11,12-hexahydroazocino[1,2-b]isoquinolin-5-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=N)N(C1=CC=C(C=C1)Br)O

DOS

IR

Vibrations