Geometry & MOs

Info

ID:	298669
PubChem CID:	117653764
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	376.092929
ΔH_f, kcal/mol:	-100.7
Dipole, Da:	3.1
IP(EA), eV:	-8.33(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-2-yl]ethyl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)N2CCNC(C2)CO

DOS

IR

Vibrations