Geometry & MOs

Info

ID:	255948
PubChem CID:	103135839
Reduced:	NOC19H29 (1)
Stoich.:	ABC19D29 (1)
Weight, g/mol:	281.132826
ΔH_f, kcal/mol:	-59.68
Dipole, Da:	2.6
IP(EA), eV:	-8.73(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoropyridin-2-yl)-isoquinolin-8-ylmethyl]ethanamine

Drug info:

PubChemData

Smile

CCCNC1C(CCC2=CC=CC=C12)CC3CCC(O3)C

DOS

IR

Vibrations