Geometry & MOs

Info

ID:	387781
PubChem CID:	134986908
Reduced:	O2N3H9C13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	294.9858
ΔH_f, kcal/mol:	39.53
Dipole, Da:	3.52
IP(EA), eV:	-9.38(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-3-prop-1-en-2-ylisoquinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C(=O)N2O)N=CC=C3

DOS

IR

Vibrations