Geometry & MOs

Info

ID:	256045
PubChem CID:	103136606
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-133.03
Dipole, Da:	2.2
IP(EA), eV:	-8.41(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothiolan-3-yl)-1-isoquinolin-8-ylethanamine

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OCC2CCC(O2)C)CC(C)N

DOS

IR

Vibrations