Geometry & MOs

Info

ID:	257039
PubChem CID:	103143211
Reduced:	FN2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	326.04186
ΔH_f, kcal/mol:	26.18
Dipole, Da:	1.72
IP(EA), eV:	-9.11(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-1-isoquinolin-8-ylethanamine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1F)(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations