Geometry & MOs

Info

ID:	387811
PubChem CID:	134987010
Reduced:	NOCl2H7C13 (1)
Stoich.:	ABC2D7E13 (1)
Weight, g/mol:	253.01023
ΔH_f, kcal/mol:	-6.34
Dipole, Da:	4.19
IP(EA), eV:	-8.85(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-ethyl-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)NC3=C(C2=O)C=C(C=C3)Cl

DOS

IR

Vibrations