Geometry & MOs

Info

ID:	314552
PubChem CID:	126622126
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	369.14887
ΔH_f, kcal/mol:	-98.43
Dipole, Da:	7.44
IP(EA), eV:	-9.0(-1.24)
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-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C2C=CN=C(C2=C1)OCC34CC3CC(=O)N4)C(=O)N

DOS

IR

Vibrations