Geometry & MOs

Info

ID:	286922
PubChem CID:	104223537
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	248.09094
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	6.66
IP(EA), eV:	-9.2(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations