Geometry & MOs

Info

ID:	314551
PubChem CID:	126622118
Reduced:	FN3O4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-162.46
Dipole, Da:	4.51
IP(EA), eV:	-8.93(-1.21)
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-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C2C=CN=C(C2=C1)OCC3C4(CC4)C(C(=O)N3)F)C(=O)N

DOS

IR

Vibrations