Geometry & MOs

Info

ID:	256711
PubChem CID:	103140884
Reduced:	SN4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	282.082684
ΔH_f, kcal/mol:	105.22
Dipole, Da:	7.71
IP(EA), eV:	-8.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-methoxyphenyl)sulfanylisoquinolin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)SC3=C4C=NC=CC4=C(C=C3)N

DOS

IR

Vibrations