Geometry & MOs

Info

ID:	373596
PubChem CID:	131317668
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	10.14
Dipole, Da:	4.79
IP(EA), eV:	-9.39(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-4-tert-butyl-8aH-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2C=C(C=CC2C(=O)N=C1)Br

DOS

IR

Vibrations