Geometry & MOs

Info

ID:	256060
PubChem CID:	103136762
Reduced:	SO5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	254.08777
ΔH_f, kcal/mol:	-166.52
Dipole, Da:	5.11
IP(EA), eV:	-9.16(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(4-methylthiophen-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)C2=CC=C(O2)C(=O)O

DOS

IR

Vibrations