Geometry & MOs

Info

ID:	257043
PubChem CID:	103143259
Reduced:	N2F3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	284.112505
ΔH_f, kcal/mol:	-129.7
Dipole, Da:	2.3
IP(EA), eV:	-9.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-1-isoquinolin-8-ylethanamine

Drug info:

PubChemData

Smile

C1CC(CC(C1)(C2=CC=CC3=C2C=NC=C3)N)C(F)(F)F

DOS

IR

Vibrations