Geometry & MOs

Info

ID:	26198
PubChem CID:	640823
Reduced:	Cl2O2H3N3C4 (1)
Stoich.:	A2B2C3D3E4 (1)
Weight, g/mol:	173.084064
ΔH_f, kcal/mol:	24.56
Dipole, Da:	4.64
IP(EA), eV:	-10.09(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxyisoquinoline

Drug info:

PubChemData

Smile

CN1C(=C(N=C1Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations