Geometry & MOs

Info

ID:	150079
PubChem CID:	53789765
Reduced:	NO2C29H33 (1)
Stoich.:	AB2C29D33 (1)
Weight, g/mol:	154.037842
ΔH_f, kcal/mol:	-38.53
Dipole, Da:	3.49
IP(EA), eV:	-8.96(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-1H-pyrimidin-5-yl) acetate

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)O[C@H](CCC2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=CC=C4

DOS

IR

Vibrations