Geometry & MOs

Info

ID:	256226
PubChem CID:	103137854
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	262.146999
ΔH_f, kcal/mol:	-77.69
Dipole, Da:	4.33
IP(EA), eV:	-10.17(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-(4-methylphenyl)ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=C(N=N2)C(=O)OCC=C)C

DOS

IR

Vibrations