Geometry & MOs

Info

ID:	257136
PubChem CID:	103143993
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	263.142248
ΔH_f, kcal/mol:	32.18
Dipole, Da:	4.08
IP(EA), eV:	-8.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-isoquinolin-8-ylpyridin-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CNCC1=C(C=CC(=C1)C2=CC=CC3=C2C=NC=C3)OC

DOS

IR

Vibrations