Geometry & MOs

Info

ID:	256143
PubChem CID:	103137350
Reduced:	ClOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-105.27
Dipole, Da:	4.57
IP(EA), eV:	-9.76(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-aminoisoquinolin-8-yl)-ethylamino]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC1CCC(O1)CCC(C(C)C)Cl

DOS

IR

Vibrations