Geometry & MOs

Info

ID:	256155
PubChem CID:	103137418
Reduced:	SN2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	286.067304
ΔH_f, kcal/mol:	70.39
Dipole, Da:	3.66
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations