Geometry & MOs

Info

ID:	275908
PubChem CID:	103819012
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	288.087433
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	5.17
IP(EA), eV:	-8.15(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4,5-trifluorophenyl)methyl]isoquinolin-8-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C1C=CC(=C2)NCC3=CN=CN3

DOS

IR

Vibrations