Geometry & MOs

Info

ID:	257045
PubChem CID:	103143271
Reduced:	BrClN2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	280.137577
ΔH_f, kcal/mol:	65.46
Dipole, Da:	4.56
IP(EA), eV:	-9.12(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-1-isoquinolin-8-ylpropan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations