Geometry & MOs

Info

ID:	256499
PubChem CID:	103139609
Reduced:	BrFON2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	1.05
Dipole, Da:	5.94
IP(EA), eV:	-8.71(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl(isoquinolin-8-yl)methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Br)OC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations