Geometry & MOs

Info

ID:	257040
PubChem CID:	103143220
Reduced:	BrN2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	73.23
Dipole, Da:	4.08
IP(EA), eV:	-9.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-1-(4-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Br)(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations