Geometry & MOs

Info

ID:	329818
PubChem CID:	127246685
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-67.1
Dipole, Da:	4.13
IP(EA), eV:	-9.09(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)CN3C4=CC=CC=C4OC3=O)C

DOS

IR

Vibrations