Geometry & MOs

Info

ID:	255990
PubChem CID:	103136137
Reduced:	SO2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	282.11907
ΔH_f, kcal/mol:	-111.78
Dipole, Da:	3.33
IP(EA), eV:	-8.9(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5-dimethylthiophen-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CSCCO

DOS

IR

Vibrations