Geometry & MOs

Info

ID:	286915
PubChem CID:	104223520
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-82.83
Dipole, Da:	7.08
IP(EA), eV:	-9.23(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=C(C=N2)/C=C/C(=O)O)C(=O)N

DOS

IR

Vibrations