Geometry & MOs

Info

ID:	256990
PubChem CID:	103142946
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	10.23
Dipole, Da:	9.13
IP(EA), eV:	-8.95(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-yl-2,2,5,5-tetramethyloxolan-3-ol

Drug info:

PubChemData

Smile

C1CN(CCC1C=O)C2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations