Geometry & MOs

Info

ID:	179573
PubChem CID:	76501922
Reduced:	OC6H10 (3)
Stoich.:	AB6C10 (3)
Weight, g/mol:	161.047678
ΔH_f, kcal/mol:	-177.57
Dipole, Da:	3.51
IP(EA), eV:	-10.25(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-8aH-isoquinolin-3-one

Drug info:

PubChemData

Smile

CCCCC(C)(C)C(C=CC12CCC(C1CC(=O)O2)C)O

DOS

IR

Vibrations