Geometry & MOs

Info

ID:	256134
PubChem CID:	103137278
Reduced:	SN2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	267.117176
ΔH_f, kcal/mol:	37.9
Dipole, Da:	3.79
IP(EA), eV:	-8.56(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoropyridin-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC(C1CCCCS1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations