Geometry & MOs

Info

ID:	257044
PubChem CID:	103143269
Reduced:	F2N2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	360.00289
ΔH_f, kcal/mol:	-24.86
Dipole, Da:	5.26
IP(EA), eV:	-9.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-chlorophenyl)-1-isoquinolin-8-ylethanamine

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=C1C=NC=C2)(C3=CC(=CC(=C3)F)F)N

DOS

IR

Vibrations