Geometry & MOs

Info

ID:	256720
PubChem CID:	103140921
Reduced:	BrF2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	277.04661
ΔH_f, kcal/mol:	-2.65
Dipole, Da:	3.39
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-bromopentyl)isoquinoline

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C=C(C=C2F)Br)F)NN

DOS

IR

Vibrations