Geometry & MOs

Info

ID:	257119
PubChem CID:	103143888
Reduced:	ClNO2H10C16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	-17.27
Dipole, Da:	6.71
IP(EA), eV:	-9.52(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-isoquinolin-8-ylphenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C3=CC(=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations