Geometry & MOs

Info

ID:	256428
PubChem CID:	103139193
Reduced:	OSN3H11C13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	55.91
Dipole, Da:	4.2
IP(EA), eV:	-9.54(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2-methylsulfinylpropyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations