Geometry & MOs

Info

ID:	329693
PubChem CID:	127246560
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-3.44
Dipole, Da:	3.82
IP(EA), eV:	-9.46(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC(=NO3)C(C)C

DOS

IR

Vibrations