Geometry & MOs

Info

ID:	343593
PubChem CID:	127266769
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	63.2
Dipole, Da:	3.36
IP(EA), eV:	-8.61(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyano-1-oxoisoquinolin-2-yl)-N-cyclopentylacetamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=NC=N2)N3CCCCC3CC4=CC=C(C=C4)OC)N=N1

DOS

IR

Vibrations