Geometry & MOs

Info

ID:	308415
PubChem CID:	125327233
Reduced:	FNC13H13 (2)
Stoich.:	ABC13D13 (2)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-1.7
Dipole, Da:	3.38
IP(EA), eV:	-8.44(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-5H-pyrimidin-4-yl]acetate

Drug info:

PubChemData

Smile

C1CN(CCN1C/C=C/C2=CC=CC=C2)[C@H](C3=CC=C(C=C3)F)C4=CC=CC=C4F

DOS

IR

Vibrations