Geometry & MOs

Info

ID:	256918
PubChem CID:	103142399
Reduced:	NSO3C10H19 (1)
Stoich.:	ABC3D10E19 (1)
Weight, g/mol:	282.064057
ΔH_f, kcal/mol:	-157.64
Dipole, Da:	8.44
IP(EA), eV:	-9.7(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-nitroisoquinolin-8-yl)oxyphenol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CCS(=O)(=O)C2)N

DOS

IR

Vibrations