Geometry & MOs

Info

ID:	314559
PubChem CID:	126622141
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	359.128134
ΔH_f, kcal/mol:	-148.02
Dipole, Da:	5.65
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-fluoro-6-oxo-5-azaspiro[2.4]heptan-4-yl)methoxy]-7-methoxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1CC(=O)N[C@@H]1COC2=NC=CC3=CC(=C(C=C32)OC(C)C)C(=O)N

DOS

IR

Vibrations