Geometry & MOs

Info

ID:	387871
PubChem CID:	134987213
Reduced:	NC14H17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	18.77
Dipole, Da:	2.36
IP(EA), eV:	-8.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-8-hydroxy-2H-isoquinolin-6-one

Drug info:

PubChemData

Smile

CCCCC1=C(C2=CC=CC=C2C=N1)C

DOS

IR

Vibrations