Geometry & MOs

Info

ID:	207661
PubChem CID:	80434480
Reduced:	BrN3H10C14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	291.02588
ΔH_f, kcal/mol:	86.46
Dipole, Da:	2.32
IP(EA), eV:	-8.59(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-isoquinolin-8-ylpentan-3-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)NC3=C(C=CC=N3)Br

DOS

IR

Vibrations