Geometry & MOs

Info

ID:	170619
PubChem CID:	75259270
Reduced:	FN6C18H21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	276.07933
ΔH_f, kcal/mol:	78.82
Dipole, Da:	3.04
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-3,4-dihydro-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=C(C=C2)F)CNCCN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations