Geometry & MOs

Info

ID:	284317
PubChem CID:	104042869
Reduced:	SO3N4H12C13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	5.76
IP(EA), eV:	-8.72(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpentan-1-one

Drug info:

PubChemData

Smile

CNC1=C(C=CC=N1)CN2C(=O)C3=C(S2(=O)=O)N=CC=C3

DOS

IR

Vibrations