Geometry & MOs

Info

ID:	256055
PubChem CID:	103136681
Reduced:	FNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	263.142248
ΔH_f, kcal/mol:	-134.84
Dipole, Da:	1.72
IP(EA), eV:	-9.01(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl(pyridin-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC(CC1=C(C(=CC=C1)F)OCC2CCC(O2)C)N

DOS

IR

Vibrations