Geometry & MOs

Info

ID:	328
PubChem CID:	2600
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-6.54
Dipole, Da:	7.49
IP(EA), eV:	-9.18(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-hydroxyethylamino)-7-methyliminoisoquinolin-8-one

Drug info:

PubChemData

Smile

CN=C1C=C(C2=C(C1=O)C=NC=C2)NCCO

DOS

IR

Vibrations