Geometry & MOs

Info

ID:	256923
PubChem CID:	103142447
Reduced:	N2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	298.041213
ΔH_f, kcal/mol:	-4.31
Dipole, Da:	2.24
IP(EA), eV:	-8.61(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-nitroisoquinolin-8-yl)sulfanylphenol

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C2=CC=CC3=C2CNCC3

DOS

IR

Vibrations