Geometry & MOs

Info

ID:	257087
PubChem CID:	103143676
Reduced:	NC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	54.42
Dipole, Da:	2.6
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-isoquinolin-8-yl-2,2-dimethoxyethanamine

Drug info:

PubChemData

Smile

C1CCC(NCC1)(C2CC2)C3=CC=CC4=C3C=NC=C4

DOS

IR

Vibrations