Geometry & MOs

Info

ID:	257099
PubChem CID:	103143761
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	-6.8
Dipole, Da:	1.6
IP(EA), eV:	-9.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl-(1-methoxycyclopentyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1CCOC1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations