Geometry & MOs

Info

ID:	256550
PubChem CID:	103139861
Reduced:	BrN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	298.087291
ΔH_f, kcal/mol:	90.27
Dipole, Da:	3.8
IP(EA), eV:	-8.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-chloro-3,5-dimethylphenoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(CC3=CC(=CC=C3)Br)NN

DOS

IR

Vibrations