Geometry & MOs

Info

ID:	257037
PubChem CID:	103143192
Reduced:	NSO3C10H21 (1)
Stoich.:	ABC3D10E21 (1)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	-157.87
Dipole, Da:	3.49
IP(EA), eV:	-9.66(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-1-phenylethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)(=O)CC(C)CN

DOS

IR

Vibrations