Geometry & MOs

Info

ID:	246957
PubChem CID:	103065789
Reduced:	Cl2O2N3C7H7 (1)
Stoich.:	A2B2C3D7E7 (1)
Weight, g/mol:	235.076392
ΔH_f, kcal/mol:	41.42
Dipole, Da:	8.5
IP(EA), eV:	-10.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)prop-2-enyl]-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

C=C(CN1C=C(C(=N1)[N+](=O)[O-])Cl)CCl

DOS

IR

Vibrations