Geometry & MOs

Info

ID:	255963
PubChem CID:	103135946
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	272.13472
ΔH_f, kcal/mol:	-6.89
Dipole, Da:	3.88
IP(EA), eV:	-9.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCC(C1=CC=CC2=C1C=NC=C2)N

DOS

IR

Vibrations