Geometry & MOs

Info

ID:	207994
PubChem CID:	80477536
Reduced:	OSN4C9H12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	28.16
Dipole, Da:	5.72
IP(EA), eV:	-9.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isochromen-1-yl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)CC(C2=CN=CS2)O

DOS

IR

Vibrations