Geometry & MOs

Info

ID:	256133
PubChem CID:	103137264
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	272.13472
ΔH_f, kcal/mol:	37.5
Dipole, Da:	3.22
IP(EA), eV:	-8.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-N-methyl-1-(thian-2-yl)methanamine

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations