Geometry & MOs

Info

ID:	286947
PubChem CID:	104223610
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-32.52
Dipole, Da:	8.68
IP(EA), eV:	-8.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(5-ethyl-2-methylmorpholin-4-yl)pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CCSC1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations