Geometry & MOs

Info

ID:	314548
PubChem CID:	126622112
Reduced:	O4N5C22H25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	341.11757
ΔH_f, kcal/mol:	-98.97
Dipole, Da:	5.13
IP(EA), eV:	-8.7(-1.04)
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-carbonitrile

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C2C(=C1)C(=NC=C2C3=CN(N=C3)C)OC[C@@H]4CCC(=O)N4)C(=O)N

DOS

IR

Vibrations