Geometry & MOs

Info

ID:	257120
PubChem CID:	103143896
Reduced:	N2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	72.24
Dipole, Da:	2.48
IP(EA), eV:	-9.08(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-isoquinolin-8-ylphenyl)ethanamine

Drug info:

PubChemData

Smile

CNCC1=CC(=CC=C1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations