Geometry & MOs

Info

ID:	286936
PubChem CID:	104223572
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-48.1
Dipole, Da:	8.33
IP(EA), eV:	-8.98(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations