Geometry & MOs

Info

ID:	439166
PubChem CID:	135228931
Reduced:	FON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	197.062283
ΔH_f, kcal/mol:	-40.04
Dipole, Da:	2.45
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyprop-2-enylamino)pyrimidine-5-thiol

Drug info:

PubChemData

Smile

C1CCN(CC1)C(C[C@H]2C3=C(C=CC=C3F)C4=CN=CN24)O

DOS

IR

Vibrations