Geometry & MOs

Info

ID:	256019
PubChem CID:	103136388
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	-32.15
Dipole, Da:	2.43
IP(EA), eV:	-8.28(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl(pyridin-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNCC1=CC=CC2=C1N(C=C2)CC3CCC(O3)C

DOS

IR

Vibrations