Geometry & MOs

Info

ID:	286924
PubChem CID:	104223544
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-37.05
Dipole, Da:	7.91
IP(EA), eV:	-8.81(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations