Geometry & MOs

Info

ID:	387814
PubChem CID:	134987017
Reduced:	O2N3C5H7 (1)
Stoich.:	A2B3C5D7 (1)
Weight, g/mol:	189.078979
ΔH_f, kcal/mol:	30.18
Dipole, Da:	5.35
IP(EA), eV:	-9.42(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C(=N)C=[N+]1[O-])O

DOS

IR

Vibrations