Geometry & MOs

Info

ID:	200458
PubChem CID:	79391064
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	260.056385
ΔH_f, kcal/mol:	-26.16
Dipole, Da:	6.77
IP(EA), eV:	-9.2(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(5-chloro-2,4-dioxopyrimidin-1-yl)-2-methylbutanoate

Drug info:

PubChemData

Smile

CC(C(C)N1C2=CC=CC=C2N=C1CC#N)C(=O)OC

DOS

IR

Vibrations