Geometry & MOs

Info

ID:	257129
PubChem CID:	103143950
Reduced:	NC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	282.092376
ΔH_f, kcal/mol:	65.31
Dipole, Da:	3.36
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-isoquinolin-8-ylphenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1C2=CC=CC3=C2C=NC=C3)NC

DOS

IR

Vibrations