Geometry & MOs

Info

ID:	256023
PubChem CID:	103136440
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	296.108026
ΔH_f, kcal/mol:	-76.38
Dipole, Da:	1.57
IP(EA), eV:	-8.63(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)-isoquinolin-8-ylmethyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)C)C#CCO

DOS

IR

Vibrations