Geometry & MOs

Info

ID:	314546
PubChem CID:	126622101
Reduced:	ClON3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	309.111341
ΔH_f, kcal/mol:	54.52
Dipole, Da:	3.51
IP(EA), eV:	-9.63(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-1-[(3-oxo-2-azabicyclo[3.1.0]hexan-1-yl)methoxy]isoquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(N=C2C=CN=C(C2=C1)Cl)C#N

DOS

IR

Vibrations