Geometry & MOs

Info

ID:	383335
PubChem CID:	134975006
Reduced:	NO4H19C22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	298.146999
ΔH_f, kcal/mol:	-95.85
Dipole, Da:	1.45
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-naphthalen-1-ylethyl]isoquinolin-3-amine

Drug info:

PubChemData

Smile

CC(=O)C(C1=CC=CC2=CC=CC=C21)(C(=O)NC3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations