Geometry & MOs

Info

ID:	374864
PubChem CID:	131349577
Reduced:	NO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	-50.76
Dipole, Da:	1.58
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-hydroxyisoquinoline-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)O)OC(=C2O)CCC#N

DOS

IR

Vibrations