Geometry & MOs

Info

ID:	256498
PubChem CID:	103139608
Reduced:	ClON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	331.99605
ΔH_f, kcal/mol:	17.55
Dipole, Da:	4.66
IP(EA), eV:	-8.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-bromo-4-fluorophenoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=C3C=NC=CC3=C(C=C2)N)C)Cl

DOS

IR

Vibrations