Geometry & MOs

Info

ID:	327
PubChem CID:	2599
Reduced:	ON3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	187.074562
ΔH_f, kcal/mol:	39.75
Dipole, Da:	7.48
IP(EA), eV:	-9.26(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-7-methyliminoisoquinolin-8-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations