Geometry & MOs

Info

ID:	256747
PubChem CID:	103141079
Reduced:	N2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	291.083019
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	4.21
IP(EA), eV:	-8.56(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1H-indol-2-ylsulfanyl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)OCC2CCC(O2)C

DOS

IR

Vibrations