Geometry & MOs

Info

ID:	329765
PubChem CID:	127246632
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-55.61
Dipole, Da:	4.05
IP(EA), eV:	-9.12(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations