Geometry & MOs

Info

ID:	314550
PubChem CID:	126622114
Reduced:	FN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	387.159434
ΔH_f, kcal/mol:	-104.75
Dipole, Da:	5.6
IP(EA), eV:	-8.7(-1.22)
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-propan-2-yloxyisoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations