Geometry & MOs

Info

ID:	176881
PubChem CID:	76107213
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	174.042927
ΔH_f, kcal/mol:	-3.45
Dipole, Da:	4.53
IP(EA), eV:	-8.9(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-nitroso-8aH-isoquinolin-1-one

Drug info:

PubChemData

Smile

CN1N=C(N=N1)CCC(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4

DOS

IR

Vibrations