Geometry & MOs

Info

ID:	320501
PubChem CID:	126661472
Reduced:	OSN3C26H33 (1)
Stoich.:	ABC3D26E33 (1)
Weight, g/mol:	259.114319
ΔH_f, kcal/mol:	14.1
Dipole, Da:	9.3
IP(EA), eV:	-8.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-methyl-1,3-diazinan-1-yl)sulfanyl]isoquinoline

Drug info:

PubChemData

Smile

C1CC2(CCC(CC2)C3=CC=CC=C3CCC(C4=CS/C(=C/5\C=CN=C5)/N4)O)CNC1

DOS

IR

Vibrations