Geometry & MOs

Info

ID:	274889
PubChem CID:	103812295
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-68.86
Dipole, Da:	7.48
IP(EA), eV:	-9.35(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NC(=O)C2=CSC(=N2)CN

DOS

IR

Vibrations