Geometry & MOs

Info

ID:	329817
PubChem CID:	127246684
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	7.52
IP(EA), eV:	-8.36(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=CNC4=C3C=C(C=C4)OC)C

DOS

IR

Vibrations